Compounds > e 3040
Page last updated: 2024-09-27

e 3040

Description

E 3040: a dual inhibitor of 5-lipoxygenase and thromboxane A2 synthetase; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID443292
CHEMBL ID105139
CHEBI ID4732
CHEBI ID271098
SCHEMBL ID6009376
MeSH IDM0252230

Synonyms (23)

Synonym
unii-t4ab9wq98u
5,7-dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-6-benzothiazolol
t4ab9wq98u ,
6-benzothiazolol, 5,7-dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-
bdbm50037037
5,7-dimethyl-2-methylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol
e3040 ,
e-3040
6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
e 3040
145096-30-6
L001447
chebi:4732 ,
CHEMBL105139 ,
AC1L9EDQ ,
5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
SCHEMBL6009376
6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl) benzothiazole
5,7-dimethyl-2-(methylamino)-4-(3-pyridylmethyl)-1,3-benzothiazol-6-ol
chebi:271098
DTXSID80162877
Q27106455
5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)benzo[d]thiazol-6-ol

Roles (3)

RoleDescription
anti-inflammatory drugA substance that reduces or suppresses inflammation.
uricosuric drugA gout suppressant that acts directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitorA lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (4)

ClassDescription
benzothiazoles
pyridinesAny organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
secondary amino compoundA compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
organic hydroxy compoundAn organic compound having at least one hydroxy group attached to a carbon atom.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (7)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Polyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)IC50 (µMol)0.10000.00011.68479.3200AID254738
Polyunsaturated fatty acid 5-lipoxygenaseRattus norvegicus (Norway rat)IC50 (µMol)0.16500.00462.018210.0000AID180496; AID7076
Prostaglandin G/H synthase 1Homo sapiens (human)IC50 (µMol)100.00000.00021.557410.0000AID180497
Thromboxane-A synthase Homo sapiens (human)IC50 (µMol)0.04950.00091.230410.0000AID212098; AID254723
Prostaglandin G/H synthase 2Homo sapiens (human)IC50 (µMol)100.00000.00010.995010.0000AID180497
Thromboxane-A synthaseRattus norvegicus (Norway rat)IC50 (µMol)0.09000.00400.39231.5000AID180498
Leukotriene B4 receptor 1Homo sapiens (human)IC50 (µMol)0.21000.00080.30913.2500AID102473
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (99)

Processvia Protein(s)Taxonomy
negative regulation of endothelial cell proliferationPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukocyte chemotaxis involved in inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukocyte migration involved in inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukotriene production involved in inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukotriene metabolic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
humoral immune responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of angiogenesisPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukotriene biosynthetic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
lipoxygenase pathwayPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
positive regulation of bone mineralizationPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
dendritic cell migrationPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
glucose homeostasisPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
long-chain fatty acid biosynthetic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of fat cell differentiationPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of insulin secretionPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of vascular wound healingPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of wound healingPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of inflammatory response to woundingPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of cytokine production involved in inflammatory responsePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of cellular response to oxidative stressPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
leukotriene A4 biosynthetic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
regulation of reactive oxygen species biosynthetic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of response to endoplasmic reticulum stressPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
negative regulation of sprouting angiogenesisPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
positive regulation of leukocyte adhesion to arterial endothelial cellPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
lipoxin biosynthetic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
arachidonic acid metabolic processPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
lipid oxidationPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
prostaglandin biosynthetic processProstaglandin G/H synthase 1Homo sapiens (human)
response to oxidative stressProstaglandin G/H synthase 1Homo sapiens (human)
regulation of blood pressureProstaglandin G/H synthase 1Homo sapiens (human)
cyclooxygenase pathwayProstaglandin G/H synthase 1Homo sapiens (human)
regulation of cell population proliferationProstaglandin G/H synthase 1Homo sapiens (human)
cellular oxidant detoxificationProstaglandin G/H synthase 1Homo sapiens (human)
prostaglandin biosynthetic processThromboxane-A synthase Homo sapiens (human)
icosanoid metabolic processThromboxane-A synthase Homo sapiens (human)
cyclooxygenase pathwayThromboxane-A synthase Homo sapiens (human)
intracellular chloride ion homeostasisThromboxane-A synthase Homo sapiens (human)
response to ethanolThromboxane-A synthase Homo sapiens (human)
positive regulation of vasoconstrictionThromboxane-A synthase Homo sapiens (human)
response to fatty acidThromboxane-A synthase Homo sapiens (human)
prostaglandin biosynthetic processProstaglandin G/H synthase 2Homo sapiens (human)
angiogenesisProstaglandin G/H synthase 2Homo sapiens (human)
response to oxidative stressProstaglandin G/H synthase 2Homo sapiens (human)
embryo implantationProstaglandin G/H synthase 2Homo sapiens (human)
learningProstaglandin G/H synthase 2Homo sapiens (human)
memoryProstaglandin G/H synthase 2Homo sapiens (human)
regulation of blood pressureProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of cell population proliferationProstaglandin G/H synthase 2Homo sapiens (human)
response to xenobiotic stimulusProstaglandin G/H synthase 2Homo sapiens (human)
response to nematodeProstaglandin G/H synthase 2Homo sapiens (human)
response to fructoseProstaglandin G/H synthase 2Homo sapiens (human)
response to manganese ionProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of vascular endothelial growth factor productionProstaglandin G/H synthase 2Homo sapiens (human)
cyclooxygenase pathwayProstaglandin G/H synthase 2Homo sapiens (human)
bone mineralizationProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of prostaglandin biosynthetic processProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of fever generationProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of synaptic plasticityProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of synaptic transmission, dopaminergicProstaglandin G/H synthase 2Homo sapiens (human)
prostaglandin secretionProstaglandin G/H synthase 2Homo sapiens (human)
response to estradiolProstaglandin G/H synthase 2Homo sapiens (human)
response to lipopolysaccharideProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylationProstaglandin G/H synthase 2Homo sapiens (human)
response to vitamin DProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to heatProstaglandin G/H synthase 2Homo sapiens (human)
response to tumor necrosis factorProstaglandin G/H synthase 2Homo sapiens (human)
maintenance of blood-brain barrierProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of protein import into nucleusProstaglandin G/H synthase 2Homo sapiens (human)
hair cycleProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of apoptotic processProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of nitric oxide biosynthetic processProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of cell cycleProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of vasoconstrictionProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of smooth muscle contractionProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of smooth muscle contractionProstaglandin G/H synthase 2Homo sapiens (human)
decidualizationProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of smooth muscle cell proliferationProstaglandin G/H synthase 2Homo sapiens (human)
regulation of inflammatory responseProstaglandin G/H synthase 2Homo sapiens (human)
brown fat cell differentiationProstaglandin G/H synthase 2Homo sapiens (human)
response to glucocorticoidProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of calcium ion transportProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of synaptic transmission, glutamatergicProstaglandin G/H synthase 2Homo sapiens (human)
response to fatty acidProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to mechanical stimulusProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to lead ionProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to ATPProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to hypoxiaProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to non-ionic osmotic stressProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to fluid shear stressProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of transforming growth factor beta productionProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of cell migration involved in sprouting angiogenesisProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of fibroblast growth factor productionProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of brown fat cell differentiationProstaglandin G/H synthase 2Homo sapiens (human)
positive regulation of platelet-derived growth factor productionProstaglandin G/H synthase 2Homo sapiens (human)
cellular oxidant detoxificationProstaglandin G/H synthase 2Homo sapiens (human)
regulation of neuroinflammatory responseProstaglandin G/H synthase 2Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stressProstaglandin G/H synthase 2Homo sapiens (human)
cellular response to homocysteineProstaglandin G/H synthase 2Homo sapiens (human)
response to angiotensinProstaglandin G/H synthase 2Homo sapiens (human)
muscle contractionLeukotriene B4 receptor 1Homo sapiens (human)
inflammatory responseLeukotriene B4 receptor 1Homo sapiens (human)
immune responseLeukotriene B4 receptor 1Homo sapiens (human)
G protein-coupled receptor signaling pathwayLeukotriene B4 receptor 1Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwayLeukotriene B4 receptor 1Homo sapiens (human)
leukotriene signaling pathwayLeukotriene B4 receptor 1Homo sapiens (human)
neuropeptide signaling pathwayLeukotriene B4 receptor 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (22)

Processvia Protein(s)Taxonomy
arachidonate 5-lipoxygenase activityPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
arachidonate 12(S)-lipoxygenase activityPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
iron ion bindingPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
protein bindingPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
hydrolase activityPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
arachidonate 8(S)-lipoxygenase activityPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
peroxidase activityProstaglandin G/H synthase 1Homo sapiens (human)
prostaglandin-endoperoxide synthase activityProstaglandin G/H synthase 1Homo sapiens (human)
protein bindingProstaglandin G/H synthase 1Homo sapiens (human)
heme bindingProstaglandin G/H synthase 1Homo sapiens (human)
metal ion bindingProstaglandin G/H synthase 1Homo sapiens (human)
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygenProstaglandin G/H synthase 1Homo sapiens (human)
monooxygenase activityThromboxane-A synthase Homo sapiens (human)
thromboxane-A synthase activityThromboxane-A synthase Homo sapiens (human)
iron ion bindingThromboxane-A synthase Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygenThromboxane-A synthase Homo sapiens (human)
heme bindingThromboxane-A synthase Homo sapiens (human)
12-hydroxyheptadecatrienoic acid synthase activityThromboxane-A synthase Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activityThromboxane-A synthase Homo sapiens (human)
peroxidase activityProstaglandin G/H synthase 2Homo sapiens (human)
prostaglandin-endoperoxide synthase activityProstaglandin G/H synthase 2Homo sapiens (human)
protein bindingProstaglandin G/H synthase 2Homo sapiens (human)
enzyme bindingProstaglandin G/H synthase 2Homo sapiens (human)
heme bindingProstaglandin G/H synthase 2Homo sapiens (human)
protein homodimerization activityProstaglandin G/H synthase 2Homo sapiens (human)
metal ion bindingProstaglandin G/H synthase 2Homo sapiens (human)
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygenProstaglandin G/H synthase 2Homo sapiens (human)
nucleotide bindingLeukotriene B4 receptor 1Homo sapiens (human)
leukotriene receptor activityLeukotriene B4 receptor 1Homo sapiens (human)
G protein-coupled peptide receptor activityLeukotriene B4 receptor 1Homo sapiens (human)
leukotriene B4 receptor activityLeukotriene B4 receptor 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (25)

Processvia Protein(s)Taxonomy
extracellular regionPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
extracellular spacePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nuclear envelopePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nuclear envelope lumenPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nucleoplasmPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
cytosolPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nuclear matrixPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nuclear membranePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
secretory granule lumenPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
perinuclear region of cytoplasmPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
ficolin-1-rich granule lumenPolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
nuclear envelopePolyunsaturated fatty acid 5-lipoxygenaseHomo sapiens (human)
photoreceptor outer segmentProstaglandin G/H synthase 1Homo sapiens (human)
cytoplasmProstaglandin G/H synthase 1Homo sapiens (human)
endoplasmic reticulum membraneProstaglandin G/H synthase 1Homo sapiens (human)
Golgi apparatusProstaglandin G/H synthase 1Homo sapiens (human)
intracellular membrane-bounded organelleProstaglandin G/H synthase 1Homo sapiens (human)
extracellular exosomeProstaglandin G/H synthase 1Homo sapiens (human)
cytoplasmProstaglandin G/H synthase 1Homo sapiens (human)
neuron projectionProstaglandin G/H synthase 1Homo sapiens (human)
endoplasmic reticulumThromboxane-A synthase Homo sapiens (human)
endoplasmic reticulum membraneThromboxane-A synthase Homo sapiens (human)
cytosolThromboxane-A synthase Homo sapiens (human)
nuclear inner membraneProstaglandin G/H synthase 2Homo sapiens (human)
nuclear outer membraneProstaglandin G/H synthase 2Homo sapiens (human)
cytoplasmProstaglandin G/H synthase 2Homo sapiens (human)
endoplasmic reticulumProstaglandin G/H synthase 2Homo sapiens (human)
endoplasmic reticulum lumenProstaglandin G/H synthase 2Homo sapiens (human)
endoplasmic reticulum membraneProstaglandin G/H synthase 2Homo sapiens (human)
caveolaProstaglandin G/H synthase 2Homo sapiens (human)
neuron projectionProstaglandin G/H synthase 2Homo sapiens (human)
protein-containing complexProstaglandin G/H synthase 2Homo sapiens (human)
neuron projectionProstaglandin G/H synthase 2Homo sapiens (human)
cytoplasmProstaglandin G/H synthase 2Homo sapiens (human)
plasma membraneLeukotriene B4 receptor 1Homo sapiens (human)
plasma membraneLeukotriene B4 receptor 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay IDTitleYearJournalArticle
AID234122Tested for the suppression ratio, the difference between the amount of TXB2 produced in the test groups and the control group at the dosage of 100 mg/kg1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID216290Tested for inhibitory activity against the production of prostaglandin E2 (PGE2) in human whole blood1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID180498Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID161171Tested for inhibitory activity against Prostaglandin G/H synthase in seminal vesicle of sheep1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID7076Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID234121Tested for the suppression ratio, the difference between the amount of PGE-2 produced in the test groups and the control group at the dosage of 100 mg/kg1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID254738Inhibitory concentration against arachidonate 5-lipoxygenase2005Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21
Designed multiple ligands. An emerging drug discovery paradigm.
AID180496Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID184772Tested for the ability to decrease lesion area in the colon of the TNB/ethanol-induced chronic colitis rats at the dosage of 100 mg/kg/day1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID234120Tested for the suppression ratio, the difference between the amount of LTB4 produced in the test groups and the control group at the dosage of 100 mg/kg1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID254723Inhibitory concentration against thromboxane A2 synthase2005Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21
Designed multiple ligands. An emerging drug discovery paradigm.
AID212098Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID212790Tested for inhibitory activity against thromboxane B2 (TXB2) in human platelets1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID143585Tested in vivo for the ability to inhibit myeloperoxidase (MPO) activity in the colon of the TNB/ethanol-induced chronic colitis rats at the dosage of 100 mg/kg/day1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID216289Tested for inhibitory activity against the production of leukotriene B4 (LTB4) in human whole blood1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID102473Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human neutrophils1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID216291Tested for inhibitory activity against the production of thromboxane B2 (TXB2) in human whole blood1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
AID180497Inhibitory activity against the production of prostaglandin E2 (PGE2) in glycogen-induced peritoneal cells of rat1994Journal of medicinal chemistry, Sep-16, Volume: 37, Issue:19
Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (18)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's10 (55.56)18.2507
2000's7 (38.89)29.6817
2010's1 (5.56)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (5.56%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other17 (94.44%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
sulfasalazine[no description available]medium30
1-(1-naphthyl)piperazine[no description available]medium10N-arylpiperazine
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium10ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cyproheptadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
roxatidine acetate[no description available]medium10piperidines
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
sulotroban[no description available]medium10
sch 37370[no description available]medium10
duloxetine[no description available]medium10duloxetine
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
prifelone[no description available]medium10aromatic ketone
sq 28603[no description available]medium10
rupatadine[no description available]medium10benzocycloheptapyridine
ml-3000[no description available]medium10
mk 767[no description available]medium10
bms 207940[no description available]medium10
tropisetron[no description available]medium10indolyl carboxylic acid
l 365260[no description available]medium10benzodiazepine
bosutinib[no description available]medium10aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
6-(4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid[no description available]medium10
bms 248360[no description available]medium10
sb-649915[no description available]medium10
milnacipran[no description available]medium10acetamides
clozapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
6-hydroxybenzbromarone[no description available]medium10
benzarone[no description available]medium101-benzofurans
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
sulfinpyrazone[no description available]medium10pyrazolidines;
sulfoxide		uricosuric drug
phenylbutazone[no description available]medium10pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
uric acid[no description available]medium40uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
indomethacin[no description available]medium20aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
salicylates[no description available]medium10monohydroxybenzoateplant metabolite
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
thiazoles[no description available]medium1501,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
taurocholic acid[no description available]medium20amino sulfonic acid;
bile acid taurine conjugate		human metabolite
s-(2,4-dinitrophenyl)glutathione[no description available]medium20glutathione conjugate
(sulfobromophthalein)glutathione conjugate[no description available]medium10
leukotriene c4[no description available]medium10leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite
grepafloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
sulfobromophthalein[no description available]medium102-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
pyrazinoic acid[no description available]medium10pyrazinecarboxylic acidantitubercular agent;
drug metabolite
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
hydroxide ion[no description available]medium10oxygen hydridemouse metabolite
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
dinoprostone[no description available]medium20prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
thromboxane b2[no description available]medium30thromboxanes Bhuman metabolite;
mouse metabolite
leukotriene b4[no description available]medium20dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid[no description available]medium10
prednisolone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
1-hexadecyl-2-acetyl-glycero-3-phosphocholine[no description available]medium102-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
chlorine[no description available]medium10halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
dapsone[no description available]low00substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
ebselen[no description available]low00benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
palmidrol[no description available]low00endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
probucol[no description available]low00dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
rizatriptan[no description available]low00tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
prednisone[no description available]low0011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
methylprednisolone acetate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
fluocinolone acetonide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
triamcinolone acetonide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
methylprednisolone[no description available]low006-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
betamethasone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
fluorometholone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
flumethasone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
betamethasone valerate[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester		anti-inflammatory drug
beclomethasone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
beclomethasone dipropionate[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
triamcinolone[no description available]low0011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
fludrocortisone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid		adrenergic agent;
anti-inflammatory drug
clobetasol propionate[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug
zolmitriptan[no description available]low00oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
diflorasone diacetate[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug
diflorasone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
flunisolide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
hydrocortamate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
glucocorticoid;
glycinyl ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
immunosuppressive agent
friedelin[no description available]low00cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
celastrol[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
varespladib[no description available]low00aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
lupeol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite
mometasone furoate[no description available]low0011beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester		anti-allergic agent;
anti-inflammatory drug
amcinonide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
flumethasone pivalate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
loteprednol etabonate[no description available]low0011beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester		anti-inflammatory drug
fluticasone propionate[no description available]low0011beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester		adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
sch 22219[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester		anti-inflammatory drug
prednisolone hemisuccinate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
vx-745[no description available]low00aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pulmicort[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
clocortolone pivalate[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester		anti-inflammatory drug;
antipruritic drug
clobetasol[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
SMO receptor agonist
desonide[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
cyclic ketal;
primary alpha-hydroxy ketone		anti-inflammatory drug
desoximetasone[no description available]low0011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
andrographolide[no description available]low00carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
varespladib methyl[no description available]low00aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
ginsenoside rb1[no description available]low00ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
ginsenoside rd[no description available]low00beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
sar 1118[no description available]low001-benzofurans;
isoquinolines;
L-phenylalanine derivative;
N-acyl-L-alpha-amino acid;
sulfone		anti-inflammatory drug;
lymphocyte function-associated antigen-1 antagonist
prednisolone sodium succinate[no description available]low00organic sodium saltanti-inflammatory drug
delgocitinib[no description available]low00azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
apazone[no description available]low00benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
lesinurad[no description available]low00aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
aa 861[no description available]low001,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
alminoprofen[no description available]medium00amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
azelastine[no description available]low00monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
caffeic acid[no description available]low00catechols;
hydroxycinnamic acid		antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
meclofenamic acid[no description available]medium00aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
benoxaprofen[no description available]low001,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
azelastine hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
ginkgetin[no description available]low00biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
eupatilin[no description available]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
bw b70c[no description available]low00aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
sulindac sulfone[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
meclofenamate sodium anhydrous[no description available]low00hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
ethoxzolamide[no description available]low00aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
riluzole[no description available]low00benzothiazoles
tiaramide[no description available]low00benzothiazoles
ticlatone[no description available]low00benzothiazoles
benzothiazole[no description available]low00benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
dibenzothiazyl disulfide[no description available]low00benzothiazoles;
organic disulfide		allergen
2-aminobenzothiazole[no description available]low00benzothiazoles
diamthazole[no description available]low00benzothiazoles
dithiazanine[no description available]low00benzothiazoles;
benzothiazolium ion		anthelminthic drug;
fluorochrome
2-(methylthio)benzothiazole[no description available]low00benzothiazoles;
methyl sulfide		aryl hydrocarbon receptor agonist;
xenobiotic metabolite
2-(2-hydroxyphenyl)benzothiazole[no description available]low00benzothiazoles;
phenols		geroprotector
methabenzthiazuron[no description available]low00benzothiazoles
sabeluzole[no description available]low00benzothiazoles
lubeluzole[no description available]low00benzothiazoles
2-benzothiazolesulfonamide[no description available]low00benzothiazoles;
sulfonamide
tioxidazole[no description available]low00benzothiazoles
2-(4-Morpholinyl)benzothiazole[no description available]low00benzothiazoles
mefenacet[no description available]low00benzothiazoles;
tertiary carboxamide		antimitotic;
herbicide
firefly luciferin[no description available]low001,3-thiazolemonocarboxylic acid;
benzothiazoles;
imidothioate		luciferin
pramipexole[no description available]low00benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
2-pyridin-4-yl-1,3-benzothiazole[no description available]low00benzothiazoles
6-methoxy-3-methyl-1,3-benzothiazol-2-imine[no description available]low00benzothiazoles
6-Fluoro-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester[no description available]low00benzothiazoles
E3040 glucuronide[no description available]low00benzothiazoles;
beta-D-glucosiduronic acid;
pyridines;
secondary amino compound		xenobiotic metabolite
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide[no description available]low00benzothiazoles
6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole[no description available]low00benzothiazoles
6-propan-2-yl-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
3-(2-phenoxyethyl)-1,3-benzothiazol-2-one[no description available]low00benzothiazoles
3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-one[no description available]low00benzothiazoles
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide[no description available]low00benzothiazoles
N-(1,3-benzothiazol-2-yl)-N-methylbenzamide[no description available]low00benzothiazoles
2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide[no description available]low00benzothiazoles
2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile[no description available]low00benzothiazoles
5-[(4-chloro-1-pyrazolyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-furancarboxamide[no description available]low00benzothiazoles
N-(2-furanylmethyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide[no description available]low00benzothiazoles
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide[no description available]low00benzothiazoles
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide[no description available]low00benzothiazoles
2-(4,5-dihydrothiazol-2-ylthio)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide[no description available]low00benzothiazoles
2-(beta-D-glucosyl)benzothiazole[no description available]low00benzothiazoles;
C-glycosyl compound
1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanone[no description available]low00benzothiazoles
2-[[3-[4-(dimethylamino)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furancarboxylic acid methyl ester[no description available]low00benzothiazoles
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
1,3-benzothiazol-2-yl(thiomorpholin-4-yl)methanone[no description available]low00benzothiazoles
N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide[no description available]low00benzothiazoles
2-(1,3-benzothiazol-2-ylmethoxy)phenol[no description available]low00benzothiazoles
N-[2-(1-cyclohexenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide[no description available]low00benzothiazoles
N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide[no description available]low00benzothiazoles
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide[no description available]low00benzothiazoles
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide[no description available]low00benzothiazoles
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine[no description available]low00benzothiazoles
N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide[no description available]low00benzothiazoles
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide[no description available]low00benzothiazoles
2-[(2-chlorophenyl)methylthio]-6-nitro-1,3-benzothiazole[no description available]low00benzothiazoles
N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide[no description available]low00benzothiazoles
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine[no description available]low00benzothiazoles
2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester[no description available]low00benzothiazoles
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide[no description available]low00benzothiazoles
2-(2,4,5-trimethoxyphenyl)-1,3-benzothiazole[no description available]low00benzothiazoles
3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-one[no description available]low00benzothiazoles
3-[2-(4-methylphenoxy)ethyl]-1,3-benzothiazol-2-one[no description available]low00benzothiazoles
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide[no description available]low00benzothiazoles
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide[no description available]low00benzothiazoles
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide[no description available]low00benzothiazoles
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole[no description available]low00benzothiazoles
N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphorylacetamide[no description available]low00benzothiazoles
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione[no description available]low00benzothiazoles
6-fluoro-2-phenyl-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea[no description available]low00benzothiazoles
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester[no description available]low00benzothiazoles
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide[no description available]low00benzothiazoles
[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide[no description available]low00benzothiazoles
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine[no description available]low00benzothiazoles
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide[no description available]low00benzothiazoles
4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester[no description available]low00benzothiazoles
N-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide[no description available]low00benzothiazoles
3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester[no description available]low00benzothiazoles
1-(1,3-benzothiazol-2-yl)-3-propylurea[no description available]low00benzothiazoles
5-bromo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-furancarboxamide[no description available]low00benzothiazoles
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide[no description available]low00benzothiazoles
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide[no description available]low00benzothiazoles
5-bromo-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide[no description available]low00benzothiazoles
N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-furancarboxamide[no description available]low00benzothiazoles
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea[no description available]low00benzothiazoles
5-bromo-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide[no description available]low00benzothiazoles
2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine[no description available]low00benzothiazoles
2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1,1-dioxo-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide[no description available]low00benzothiazoles
N-(2-phenylethyl)-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide[no description available]low00benzothiazoles
4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinecarboxaldehyde[no description available]low00benzothiazoles
1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester[no description available]low00benzothiazoles
1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester[no description available]low00benzothiazoles
1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester[no description available]low00benzothiazoles
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)-4-piperidinecarboxamide[no description available]low00benzothiazoles
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide[no description available]low00benzothiazoles
2-(2-chloro-3-pyridinyl)-1,3-benzothiazole[no description available]low00benzothiazoles
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide[no description available]low00benzothiazoles
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide[no description available]low00benzothiazoles
1,3-benzothiazole-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00benzothiazoles
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamide[no description available]low00benzothiazoles
2-(6-imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester[no description available]low00benzothiazoles
N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide[no description available]low00benzothiazoles
1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide[no description available]low00benzothiazoles
1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester[no description available]low00benzothiazoles
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide[no description available]low00benzothiazoles
4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester[no description available]low00benzothiazoles
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester[no description available]low00benzothiazoles
4-(4,6-difluoro-1,3-benzothiazol-2-yl)morpholine[no description available]low00benzothiazoles
5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester[no description available]low00benzothiazoles
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide[no description available]low00benzothiazoles
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide[no description available]low00benzothiazoles
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide[no description available]low00benzothiazoles
2-(1,3-benzothiazol-2-ylmethylthio)-1-butyl-5-benzimidazolesulfonamide[no description available]low00benzothiazoles
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide[no description available]low00benzothiazoles
3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide[no description available]low00benzothiazoles
[4-(butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide[no description available]low00benzothiazoles
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide[no description available]low00benzothiazoles
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)benzohydrazide[no description available]low00benzothiazoles
3-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide[no description available]low00benzothiazoles
N-(7-methyl-2-thiazolo[4,5-g][1,3]benzothiazolyl)propanamide[no description available]low00benzothiazoles
N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-oxolanecarboxamide[no description available]low00benzothiazoles
N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide[no description available]low00benzothiazoles
4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester[no description available]low00benzothiazoles
2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide[no description available]low00benzothiazoles
N-(2-oxolanylmethyl)-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide[no description available]low00benzothiazoles
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide[no description available]low00benzothiazoles
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide[no description available]low00benzothiazoles
dithiazanine iodide[no description available]low00benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome
3,3'-diethylthiacarbocyanine iodide[no description available]low00benzothiazoles;
cyanine dye		fluorochrome
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)-3-pyridazinone[no description available]low00benzothiazoles
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester[no description available]low00benzothiazoles
6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazole[no description available]low00benzothiazoles
6-fluoro-N-phenyl-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide[no description available]low00benzothiazoles
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide[no description available]low00benzothiazoles
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)propanehydrazide[no description available]low00benzothiazoles
4-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine[no description available]low00benzothiazoles
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide[no description available]low00benzothiazoles
2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole[no description available]low00benzothiazoles
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide[no description available]low00benzothiazoles
r 115866[no description available]low00aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles
as 601245[no description available]low00benzothiazoles
2-(4-methoxyphenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
2-(4-chlorophenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
tozadenant[no description available]low00benzothiazoles
3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide[no description available]low00benzothiazoles
2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole[no description available]low00benzothiazoles
2-(3-chlorophenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
vizamyl[no description available]low00(18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound		radioactive imaging agent
picogreen[no description available]low00benzothiazoles;
cyanine dye;
quinolines;
tertiary amine		fluorescent dye
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide[no description available]low00benzothiazoles
5-fluoro-2-phenyl-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
2-(4-fluorophenyl)-1,2-benzothiazol-3-one[no description available]low00benzothiazoles
INDY[no description available]low00benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide[no description available]low00benzothiazoles
tak-632[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide[no description available]low00benzothiazoles
ML355[no description available]low00benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
dehydroluciferin[no description available]low001,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols		animal metabolite;
luciferin
3-cyanopyridine[no description available]low00nitrile;
pyridines
2-(3-pyridine)acetic acid[no description available]low00monocarboxylic acid;
pyridines		human xenobiotic metabolite
nicotine 1-n-oxide[no description available]low00pyridines;
pyrrolidine N-oxides
norcotinine[no description available]low00pyridines;
pyrrolidines
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
pyridine[no description available]low00azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
carbinoxamine[no description available]low00monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
chlorpheniramine[no description available]low00monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
disopyramide[no description available]low00monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
doxylamine[no description available]low00pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
fusaric acid[no description available]low00aromatic carboxylic acid;
pyridines
iproniazid[no description available]low00carbohydrazide;
pyridines
lansoprazole[no description available]low00benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
entinostat[no description available]low00benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
niflumic acid[no description available]low00aromatic carboxylic acid;
pyridines
omeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
pantoprazole[no description available]low00aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pheniramine[no description available]low00pyridines;
tertiary amino compound
pinacidil[no description available]low00pyridines
pioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
pirbuterol[no description available]low00pyridines
pyridinolcarbamate[no description available]low00pyridines
quipazine[no description available]low00piperazines;
pyridines
rabeprazole[no description available]low00benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
sb 202190[no description available]low00imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
risedronic acid[no description available]low00pyridines
streptonigrin[no description available]low00pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfapyridine[no description available]low00pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
tazarotene[no description available]low00acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine[no description available]low00N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator
thurfyl nicotinate[no description available]low00aromatic carboxylic acid;
pyridines
brompheniramine[no description available]low00organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
methyl nicotinate[no description available]low00aromatic carboxylic acid;
pyridines
citrazinic acid[no description available]low00aromatic carboxylic acid;
pyridines
nicotinyl alcohol[no description available]low00aromatic primary alcohol;
pyridines		antilipemic drug;
vasodilator agent
beta-nicotyrine[no description available]low00pyridines
3-ethylpyridine[no description available]low00pyridines
2-Pyridinylmethanol[no description available]low00pyridines
nicoboxil[no description available]low00aromatic carboxylic acid;
pyridines
clopyralid[no description available]low00organochlorine pesticide;
pyridines		herbicide
oxiniacic acid[no description available]low00aromatic carboxylic acid;
pyridines
2-(aminomethyl)pyridine[no description available]low00pyridines
propiram[no description available]low00pyridines
n'-nitrosonornicotine[no description available]low00pyridines;
pyrrolidines
[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone[no description available]low00piperazines;
pyridines
5-hydroxynicotinic acid[no description available]low00aromatic carboxylic acid;
pyridines
n-cyano-n'-(1,1-dimethylpropyl)-n''-(3-pyridinyl)guanidine[no description available]low00pyridines
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone[no description available]low00nitrosamine;
pyridines
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
fluazifop-butyl[no description available]low00aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines
imazapyr, (+-)-isomer[no description available]low00imidazolines;
imidazolone;
pyridinemonocarboxylic acid;
pyridines
imazethapyr[no description available]low00aromatic carboxylic acid;
pyridines
2,2'-dipyridyl disulfide[no description available]low00organic disulfide;
pyridines		oxidising agent
droxicam[no description available]low00organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
methyridine[no description available]low00pyridines
picosulfate sodium[no description available]low00aryl sulfate;
pyridines
2-hydroxynicotinic acid[no description available]low00aromatic carboxylic acid;
pyridines
ethylnicotinate[no description available]low00aromatic carboxylic acid;
pyridines
nicametate[no description available]low00aromatic carboxylic acid;
pyridines
nicotinamide n-oxide[no description available]low00pyridines
nicosulfuron[no description available]low00N-sulfonylurea;
pyridines;
pyrimidines		environmental contaminant;
herbicide;
xenobiotic
4,4'-dipyridyl disulfide[no description available]low00organic disulfide;
pyridines
2-Chloronicotinic acid[no description available]low00aromatic carboxylic acid;
pyridines
4-methoxymethylpyridoxine[no description available]low00pyridines
6-chloronicotinic acid[no description available]low00aromatic carboxylic acid;
pyridines
2-pyridylacetic acid[no description available]low00pyridines
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
pyriproxyfen[no description available]low00aromatic ether;
pyridines		juvenile hormone mimic
dithiopyr[no description available]low00organofluorine compound;
pyridines;
thioester
thiazopyr[no description available]low00aromatic carboxylic acid;
pyridines
dpx e9636[no description available]low00aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic
clodinafop-propargyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide
flazasulfuron[no description available]low00pyridines;
sulfonamide
2,6-dichloroisonicotinic acid[no description available]low00monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
difenpiramide[no description available]low00biphenyls;
monocarboxylic acid amide;
pyridines		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol[no description available]low00nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite
hydroxycotinine[no description available]low00N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
5-hydroxymethylomeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite
forasartan[no description available]low00benzenes;
pyridines;
tetrazoles;
triazoles		angiotensin receptor antagonist;
antihypertensive agent
abiraterone[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
agn 190299[no description available]low00monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent
vatalanib[no description available]low00monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
metyrapol[no description available]low00pyridines
sb 203580[no description available]low00imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
aminopyralid[no description available]low00aromatic amine;
organochlorine pesticide;
pyridines		herbicide
dabigatran etexilate[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug
dabigatran[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines		anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
alpha-(trichloromethyl)-4-pyridineethanol[no description available]low00pyridines
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
gant58[no description available]low00pyridines
3-(3-pyridinyl)propanoic acid[no description available]low00pyridines
rosoxacin[no description available]low00pyridines;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antiinfective agent
gant 61[no description available]low00aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
cerivastatin[no description available]low00dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
hts 466284[no description available]low00pyrazoles;
pyridines;
quinolines		TGFbeta receptor antagonist
prinomastat[no description available]low00aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester[no description available]low00aromatic carboxylic acid;
pyridines
5-(2-furanyl)-3-(3-pyridinyl)-1,2,4-oxadiazole[no description available]low00pyridines
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone[no description available]low00pyridines
s 1033[no description available]low00(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide[no description available]low00pyridines
5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole[no description available]low00pyridines
N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide[no description available]low00pyridines
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide[no description available]low00pyridines
6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile[no description available]low00piperazines;
pyridines
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
5,8-dimethoxy-4-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)quinoline[no description available]low00piperazines;
pyridines
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile[no description available]low00piperazines;
pyridines
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide[no description available]low00acetamides;
piperidines;
pyridines;
sulfonamide
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline[no description available]low00pyridines;
pyrrolidines;
quinazolines
2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine[no description available]low00piperazines;
pyridines
prothionamide[no description available]low00pyridines
N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine[no description available]low00piperazines;
pyridines
1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea[no description available]low00pyridines
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine[no description available]low00aromatic amine;
monofluorobenzenes;
pyridines;
quinazolines;
secondary amino compound;
substituted aniline
5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester[no description available]low00aromatic carboxylic acid;
pyridines
2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine[no description available]low00pyridines
5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione[no description available]low00pyridines
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
GS4012 free base[no description available]low00aryl sulfide;
monomethoxybenzene;
pyridines		VEGF activator
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole[no description available]low00pyridines
4-(methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile[no description available]low00piperazines;
pyridines
1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-benzo[cd]indolone[no description available]low00piperazines;
pyridines
cotinine[no description available]low00N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
1-propylsulfonyl-4-(2-pyridinyl)piperazine[no description available]low00piperazines;
pyridines
2-(2-phenylethylthio)-3-pyridinecarboxylic acid[no description available]low00aromatic carboxylic acid;
pyridines
1,3-benzothiazol-2-yl-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
2-(2,6-dichloroanilino)-3-pyridinesulfonamide[no description available]low00pyridines;
sulfonamide
4-(4-chloroanilino)-3-pyridinesulfonamide[no description available]low00pyridines;
sulfonamide
6-(2-oxopropylthio)-3-pyridinecarboxylic acid[no description available]low00aromatic carboxylic acid;
pyridines
6-chloro-N-(2-hydroxyphenyl)-3-pyridinesulfonamide[no description available]low00pyridines;
sulfonamide
3-(phenylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00pyridines;
triazolothiadiazole
6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile[no description available]low00piperazines;
pyridines
5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide[no description available]low00pyridines;
sulfonamide
pyrabactin[no description available]low00naphthalenes;
organobromine compound;
pyridines;
sulfonamide		abscisic acid receptor agonist;
hormone;
plant growth regulator
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline[no description available]low00piperazines;
pyridines
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone[no description available]low00piperazines;
pyridines
(4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline[no description available]low00piperazines;
pyridines
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile[no description available]low00pyridines
7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile[no description available]low00piperazines;
pyridines
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester[no description available]low00piperazines;
pyridines
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine[no description available]low00pyridines;
quinazolines;
tertiary amino compound
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
mcb-613[no description available]low00cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator
5,6-dichloro-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
2-thiopyridine[no description available]low00aryl thiol;
pyridines		allergen;
fluorescence quencher
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea[no description available]low00pyridines
3-Chloro-5-(trifluoromethyl)pyridine-2-carbothioamide[no description available]low00pyridines
2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid[no description available]low00aromatic carboxylic acid;
pyridines
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide[no description available]low00piperazines;
pyridines
5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester[no description available]low00aromatic carboxylic acid;
pyridines
ethionamide[no description available]low00pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile[no description available]low00piperazines;
pyridines
2-(propylthio)nicotinic acid[no description available]low00aromatic carboxylic acid;
pyridines
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile[no description available]low00nitrile;
pyridines
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine[no description available]low00pyridines;
pyrrolidines
(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
3-[5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]isoxazole[no description available]low00piperazines;
pyridines
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-7-chloroquinoline[no description available]low00piperazines;
pyridines
3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline[no description available]low00piperazines;
pyridines
3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone[no description available]low00piperazines;
pyridines
4-phenoxy-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone[no description available]low00piperazines;
pyridines
2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-phenylthiazole[no description available]low00piperazines;
pyridines
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide[no description available]low00pyridines;
sulfonamide
alpha-nicotyrine[no description available]low00pyridines
dapiprazole[no description available]low00N-alkylpiperazine;
N-arylpiperazine;
pyridines		alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
glucitol hexanicotinate[no description available]low00aromatic carboxylic acid;
pyridines
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline[no description available]low00organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide[no description available]low00benzodioxoles;
pyridines;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide
1-methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone[no description available]low00piperazines;
pyridines
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester[no description available]low00aryl sulfide;
azole;
isopropyl ester;
oxadiazole;
pyridines
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one[no description available]low00piperazines;
pyridines
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide[no description available]low00piperazines;
pyridines
4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione[no description available]low00piperazines;
pyridines
ml012[no description available]low00piperazines;
pyridines
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone[no description available]low00piperazines;
pyridines
N-(2-furanylmethyl)-N'-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide[no description available]low00piperazines;
pyridines
[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
2-[(5-formyl-2-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid[no description available]low00aromatic carboxylic acid;
pyridines
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile[no description available]low00piperazines;
pyridines
5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester[no description available]low00piperazines;
pyridines
2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester[no description available]low00isopropyl ester;
piperazines;
pyridines
3-(1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl)pyridine[no description available]low00pyridines
[4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
hydroxypioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester[no description available]low00aromatic carboxylic acid;
pyridines
3-(4-ethylphenyl)-4-hydroxy-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinazolin-2-one[no description available]low00piperazines;
pyridines
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide[no description available]low00benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine[no description available]low00aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
abt724[no description available]low00piperazines;
pyridines
2-(4-acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile[no description available]low00piperazines;
pyridines
triprolidine[no description available]low00N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
pibutidine[no description available]low00aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound		anti-ulcer drug;
H2-receptor antagonist
acrivastine[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide[no description available]low00piperazines;
pyridines
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one[no description available]low00enone;
pyridines		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]low00piperazines;
pyridines
axitinib[no description available]low00aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
2-[4-(2-pyrimidinyl)-1-piperazinyl]quinoline[no description available]low00piperazines;
pyridines
(2-Chloro-4-pyridinyl)methanol[no description available]low00organohalogen compound;
pyridines
pymetrozine[no description available]low001,2,4-triazines;
pyridines		antifeedant;
environmental contaminant;
TRPV channel modulator;
xenobiotic
abiraterone acetate[no description available]low00pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug
mocetinostat[no description available]low00aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide[no description available]low00piperazines;
pyridines
4-(1H-imidazol-5-ylmethyl)pyridine[no description available]low00pyridines
680c91[no description available]low00fluoroindole;
olefinic compound;
pyridines		EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor
masitinib[no description available]low001,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
vorapaxar[no description available]low00carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines		cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist
azd2858[no description available]low00aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide		antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
ciclonicate[no description available]low00aromatic carboxylic acid;
pyridines
tedizolid[no description available]low00carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
chlorantranilipole[no description available]low00monochlorobenzenes;
organobromine compound;
pyrazole insecticide;
pyrazoles;
pyridines;
secondary carboxamide		ryanodine receptor agonist
picoxystrobin[no description available]low00aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
tedizolid phosphate[no description available]low00carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
dorsomorphin[no description available]low00aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
cyantraniliprole[no description available]low00nitrile;
organobromine compound;
organochlorine compound;
pyrazole insecticide;
pyridines;
secondary carboxamide		ryanodine receptor agonist
GDC-0879[no description available]low00indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor
bgt226[no description available]low00aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
[4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone[no description available]low00piperazines;
pyridines
dafadine C[no description available]low00aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines		P450 inhibitor
dafadine B[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines		P450 inhibitor
1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea[no description available]low00piperazines;
pyridines
lumacaftor[no description available]low00aromatic amide;
benzodioxoles;
benzoic acids;
cyclopropanes;
organofluorine compound;
pyridines		CFTR potentiator;
orphan drug
ro5126766[no description available]low00aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfoxaflor[no description available]low00nitrile;
organofluorine compound;
pyridines;
sulfoximide
cnf 2024[no description available]low002-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
gdc 0449[no description available]low00benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
bms 754807[no description available]low00pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines		geroprotector;
P450 inhibitor
dafadine D[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines		P450 inhibitor
dafadine O[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly		P450 inhibitor
florbetapir f 18[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent
sch772984[no description available]low00biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk 2126458[no description available]low00aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine[no description available]low00pyridines;
sulfonamide
ml228 probe[no description available]low001,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator
lgk974[no description available]low00bipyridines;
pyrazines;
pyridines;
secondary carboxamide		Wnt signalling inhibitor
N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide[no description available]low00piperazines;
pyridines
afidopyropen[no description available]low00cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol		agrochemical;
insecticide;
TRPV channel modulator
piroxicam[no description available]low00benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]low00heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lornoxicam[no description available]low00heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
MK-8353[no description available]low00aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk-2816126[no description available]low00piperazines;
pyridines
acp-196[no description available]low00aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
GSK1059615[no description available]low00pyridines;
quinolines;
thiazolidinone		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
pf-06687252[no description available]low00azabicycloalkane;
enone;
phenols;
pyridines
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
sb-590885[no description available]low00aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
bupropion[no description available]low00aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
sk&f-38393[no description available]low00benzazepine;
catechols;
secondary amino compound
monomethylpropion[no description available]low00aromatic ketone;
secondary amino compound
acebutolol[no description available]low00aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
albuterol[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alprenolol[no description available]low00secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
benzylhydrochlorothiazide[no description available]low00benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
betahistine[no description available]low00aminoalkylpyridine;
secondary amino compound		H1-receptor agonist;
vasodilator agent
carvedilol[no description available]low00carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cgp 12177[no description available]low00aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
chloroquine[no description available]low00aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
clenbuterol[no description available]low00amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clorprenaline[no description available]low00ethanolamines;
monochlorobenzenes;
secondary amino compound
desipramine[no description available]low00dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diclofenac[no description available]low00amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
fenfluramine[no description available]low00(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
berotek[no description available]low00resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
formoterol fumarate[no description available]low00formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
glafenine[no description available]low00aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
guazatine[no description available]low00aliphatic nitrogen antifungal agent;
guanidines;
secondary amino compound		antifungal agrochemical
guvacine[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		GABA reuptake inhibitor;
plant metabolite
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide[no description available]low00bromobenzenes;
isoquinolines;
olefinic compound;
secondary amino compound;
sulfonamide		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
hydroxychloroquine[no description available]low00aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
isoproterenol[no description available]low00catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
ketamine[no description available]low00cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
labetalol[no description available]low00benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
mefenamic acid[no description available]low00aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
metaproterenol[no description available]low00aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metoprolol[no description available]low00aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
n(1), n(12)-diethylspermine[no description available]low00polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent
fenamic acid[no description available]low00aminobenzoic acid;
secondary amino compound		membrane transport modulator
nemonapride[no description available]low00benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline
nisoxetine[no description available]low00aromatic ether;
secondary amino compound		adrenergic uptake inhibitor;
antidepressant
oxamniquine[no description available]low00aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
pd 153035[no description available]low00aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pd 158780[no description available]low00aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
practolol[no description available]low00acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
propafenone[no description available]low00aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
salmeterol xinafoate[no description available]low00ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sotalol[no description available]low00ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
tetrahydropapaverine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound
wb 4101[no description available]low00aromatic ether;
benzodioxine;
secondary amino compound		alpha-adrenergic antagonist
xylazine[no description available]low001,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
phenylephrine[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
n,n'-diphenyl-4-phenylenediamine[no description available]low00N-substituted diamine;
secondary amino compound		antioxidant
methyl n-methylanthranilate[no description available]low00benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
pseudoephedrine[no description available]low00phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
dyrene[no description available]low00monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical
propylhexedrine[no description available]low00secondary amino compound
4-aminodiphenylamine[no description available]low00aromatic amine;
secondary amino compound		allergen
cyclopentamine[no description available]low00secondary amino compound
benzonatate[no description available]low00benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
diisopropanolamine[no description available]low00aminodiol;
secondary alcohol;
secondary amino compound		buffer;
emulsifier;
surfactant
meglumine[no description available]low00hexosamine;
secondary amino compound
cytisine[no description available]low00alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
octamylamine[no description available]low00secondary amino compound
noramidopyrine[no description available]low00pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug
diphenylamine[no description available]low00aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
spectinomycin[no description available]low00cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
isometheptene[no description available]low00secondary amino compound
n-methylaspartate[no description available]low00amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
colterol[no description available]low00catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent
acridine half-mustard[no description available]low00aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound		mutagen
metipranolol[no description available]low00acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
du-21220[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
amoscanate[no description available]low00C-nitro compound;
isothiocyanate;
secondary amino compound		schistosomicide drug
norflurazone[no description available]low00(trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound		agrochemical;
carotenoid biosynthesis inhibitor;
herbicide
amineptin[no description available]low00amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
bitolterol[no description available]low00carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
pendimethalin[no description available]low00C-nitro compound;
secondary amino compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide
bupirimate[no description available]low00aminopyrimidine;
pyrimidine fungicide;
secondary amino compound;
sulfamate ester		androgen antagonist;
antifungal agrochemical
torsemide[no description available]low00aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
bopindolol[no description available]low00aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
atomoxetine[no description available]low00aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
ractopamine[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
esmolol[no description available]low00aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
plerixafor[no description available]low00azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
sertraline[no description available]low00dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
nebivolol[no description available]low00chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
2-(methylamino)isobutyric acid[no description available]low00alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite
caldopentamine[no description available]low00polyazaalkane;
primary amino compound;
secondary amino compound		marine metabolite
mepanipyrim[no description available]low00acetylenic compound;
aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
hepatotoxic agent
cyprodinil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
pyrimethanil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile[no description available]low00dimethoxybenzene;
nitrile;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
phenylisopropyladenosine[no description available]low00aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
p-methoxy-n-methylphenethylamine[no description available]low00aromatic ether;
secondary amino compound		metabolite
norverapamil[no description available]low00aromatic ether;
nitrile;
polyether;
secondary amino compound
3,4-methylenedioxyethamphetamine[no description available]low00benzodioxoles;
secondary amino compound
beta-n-methylamino-l-alanine[no description available]low00diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		bacterial metabolite;
neurotoxin
nopaline[no description available]low00amino acid opine;
D-glutamic acid derivative;
guanidines;
L-arginine derivative;
secondary amino compound;
tricarboxylic acid
octopine[no description available]low00amino acid opine;
amino dicarboxylic acid;
D-alpha-amino acid zwitterion;
D-arginine derivative;
guanidines;
secondary amino compound		animal metabolite;
xenobiotic metabolite
tafenoquine[no description available]low00(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
ym 12617[no description available]low00aromatic ether;
secondary amino compound;
sulfonamide
mannopine[no description available]low00amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		plant metabolite
ezogabine[no description available]low00carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator
aj 76[no description available]low00secondary amino compound;
tetralins		dopaminergic antagonist
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
nsc 224070[no description available]low001,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent
als 8123[no description available]low00carboxylic acid;
ethanolamines;
secondary amino compound
7-nitrobenzoxadiazole-6-aminohexanoic acid[no description available]low00benzoxadiazole;
C-nitro compound;
epsilon-amino acid;
secondary amino compound		fluorochrome
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane[no description available]low00secondary amino compound
cox 189[no description available]low00amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
cinacalcet[no description available]low00(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
guvacoline[no description available]low00alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		muscarinic agonist;
plant metabolite
actinodaphine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor
baeocystin[no description available]low00organic phosphate;
secondary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen
erlotinib[no description available]low00aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
dizocilpine[no description available]low00secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
melagatran[no description available]low00azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
alpha-putrescinylthymine[no description available]low00N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
demecolcine[no description available]low00alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
nsc 23766[no description available]low00aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
norbelladine[no description available]low00catechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound		plant metabolite
validamycin a[no description available]low00antibiotic fungicide;
polyol;
secondary amino compound;
validamycins		antifungal agrochemical;
EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor;
EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ergonovine[no description available]low00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one[no description available]low00benzoic acids;
primary alcohol;
pyrrolidin-2-ones;
secondary amino compound
tolfenamic acid[no description available]low00aminobenzoic acid;
organochlorine compound;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
N-benzylquinazolin-4-amine[no description available]low00benzenes;
quinazolines;
secondary amino compound
loline[no description available]low00loline alkaloid;
secondary amino compound
Src Inhibitor-1[no description available]low00aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
SMER 28[no description available]low00organobromine compound;
quinazolines;
secondary amino compound		autophagy inducer
amn082[no description available]low00benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide[no description available]low00acetamide;
aromatic amine;
quinazolines;
secondary amino compound;
substituted aniline
spiraprilat[no description available]low00azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
dasatinib[no description available]low001,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
noribogaine[no description available]low00monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
n,o-didesmethylvenlafaxine[no description available]low00cyclohexanols;
phenols;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
n-desmethylvenlafaxine[no description available]low00cyclohexanols;
monomethoxybenzene;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide[no description available]low00acetamide;
aromatic amine;
monofluorobenzenes;
quinazolines;
secondary amino compound;
substituted aniline
chanoclavine[no description available]low00benzoindole;
ergot alkaloid;
organic heterotricyclic compound;
primary alcohol;
secondary amino compound
purmorphamine[no description available]low00aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor
spirapril[no description available]low00azaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
trandolaprilat[no description available]low00dicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
amocarzine[no description available]low00C-nitro compound;
N-methylpiperazine;
secondary amino compound;
thioureas		antinematodal drug
imidapril[no description available]low00dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
imidaprilat[no description available]low00dicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ximelagatran[no description available]low00amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ici 118551[no description available]low00aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
trandolapril[no description available]low00dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
GSK3-XIII[no description available]low00aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
robenacoxib[no description available]low00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tanespimycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
indacaterol[no description available]low00indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
panobinostat[no description available]low00cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bis(7)-tacrine[no description available]low00secondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
pd 0325901[no description available]low00difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
dysiherbaine[no description available]low00amino dicarboxylic acid;
furopyran;
hydroxy carboxylic acid;
secondary amino compound		animal metabolite;
excitatory amino acid agonist;
marine metabolite;
neurotoxin
cangrelor[no description available]low00adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor
ticagrelor[no description available]low00aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor
solabegron[no description available]low00carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
rucaparib[no description available]low00azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
chir 99021[no description available]low00aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
sch 51344[no description available]low00aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent
azd 6244[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vilanterol[no description available]low00benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
binimetinib[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
3-epi-fagomine[no description available]low00amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol		EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite
saracatinib[no description available]low00aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
ethaboxam[no description available]low001,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
validoxylamine a[no description available]low00amino cyclitol;
secondary amino compound		animal metabolite;
antibiotic insecticide;
bacterial metabolite;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ceratamine a[no description available]low00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
azd 8931[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
bay94 9172[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
idelalisib[no description available]low00aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
pamapimod[no description available]low00aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gdc-0973[no description available]low00aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat[no description available]low00cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
tg101209[no description available]low00N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
WAY-316606[no description available]low00(trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone		secreted frizzled-related protein 1 inhibitor
zm323881[no description available]low00aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinib[no description available]low00acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026[no description available]low00aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib[no description available]low00benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinib[no description available]low00aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
(R)-DRF053[no description available]low002,6-diaminopurines;
phenylpyridine;
primary alcohol;
secondary amino compound		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
GDC-0623[no description available]low00hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
mephedrone[no description available]low00amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic
lrrk2-in1[no description available]low00aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
gilteritinib[no description available]low00aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240[no description available]low00aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
chir 98014[no description available]low00aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide[no description available]low00aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes
AZD3463[no description available]low00aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ceritinib[no description available]low00aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
HG-10-102-01[no description available]low00aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
osimertinib[no description available]low00acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
ly3009120[no description available]low00aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
as 1842856[no description available]low00organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent
ldc4297[no description available]low00aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
hg-9-91-01[no description available]low00aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor
praliciguat[no description available]low00aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
chrysopine[no description available]low00amino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol		plant metabolite
enasidenib[no description available]low001,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
THZ531[no description available]low00aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
indolmycin[no description available]low001,3-oxazoles;
indoles;
secondary amino compound		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
ethirimol[no description available]low00aminopyrimidine;
pyrimidine fungicide;
pyrimidone;
secondary amino compound		antifungal agrochemical
liproxstatin-1[no description available]low00azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger
5-hydroxyuridine[no description available]low00organic hydroxy compound;
uridines
sesaminol[no description available]low00benzodioxoles;
furofuran;
organic hydroxy compound		antioxidant;
plant metabolite
gu 7[no description available]low00isoflavonoid;
organic hydroxy compound
4-hydroxymidazolam[no description available]low00imidazobenzodiazepine;
monofluorobenzenes;
organic hydroxy compound;
organochlorine compound		drug metabolite;
human blood serum metabolite;
human urinary metabolite
karounidiol[no description available]low00organic hydroxy compound
cassaine[no description available]low00enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
oripavine[no description available]low00ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic
robustic acid[no description available]low00isoflavonoid;
organic hydroxy compound
sethoxydim[no description available]low00organic hydroxy compound
ConditionIndicatedRelationship StrengthStudiesTrials
Animal Mammary Carcinoma0low10
Bilirubinemia0low10
Bowel Diseases, Inflammatory0low30
Breast Cancer0low10
Breast Carcinoma0low10
Breast Neoplasms0low10
Breast Tumors0low10
Cancer of Breast0low10
Cancer of the Breast0low10
Colitis0low10
Colitis Gravis0low10
Colitis, Ulcerative0low10
Disease Models, Animal0low20
Diseases, Metabolic0low10
Human Mammary Carcinoma0low10
Hyperbilirubinemia0low10
Hyperbilirubinemia, Hereditary0low30
Hyperbilirubinemia, Rotor Type0low30
Idiopathic Proctocolitis0low10
Inflammatory Bowel Disease, Ulcerative Colitis Type0low10
Inflammatory Bowel Diseases0low30
Malignant Neoplasm of Breast0low10
Malignant Tumor of Breast0low10
Mammary Cancer0low10
Mammary Carcinoma, Animal0low10
Mammary Carcinoma, Human0low10
Mammary Neoplasm, Human0low10
Mammary Neoplasms0low10
Mammary Neoplasms, Animal0low10
Mammary Neoplasms, Human0low10
Metabolic Diseases0low10
Neoplasms, Breast0low10
Neoplasms, Mammary0low10
Rotor Syndrome0low30
Thesaurismosis0low10
Tumors, Breast0low10
Ulcerative Colitis0low10

Research Highlights

Dosage (1)

ArticleYear
Mechanism of the uricosuric action of E3040, a drug used to treat inflammatory bowel disease II: study using DBA/2N mice.
Biopharmaceutics & drug disposition, Volume: 20, Issue: 5		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]