Compounds > amlexanox
Page last updated: 2024-09-20

amlexanox

Description

amlexanox: SRA-A antagonist;structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. [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]

Cross-References

ID SourceID
PubMed CID2161
CHEMBL ID1096
CHEBI ID31205
SCHEMBL ID29642
MeSH IDM0132876

Synonyms (113)

Synonym
AC-1192
BIDD:GT0709
aphtheal
CHEMBL1096
HMS3393F13
elics
oradisc a
aptheal
apthera
aa-673
amlexanox
amoxanox
orarinse
chx-3673
aphthasol
amlenanox
2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
5h-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-
brn 0556384
aa 673
amlexanox [usan:inn:jan]
amlexanoxum [latin]
ccris 2686
amlexanoxo [spanish]
chx 3673
2-amino-7-isopropyl-5-oxo-5h-(1)benzopyrano(2,3b)pyridine-3-carboxylic acid
MLS001424059
smr000466352
MLS000759466
2-amino-7-isopropyl-5-oxo-5h-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid
DB01025
68302-57-8
solfa (tn)
aphthasol (tn)
amlexanox (jp17/usan/inn)
D01828
NCGC00167472-01
HMS2051F13
anw ,
L001037
2-amino-7-isopropyl-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
amlexanoxo
amlexanoxum
CHEBI:31205 ,
2-amino-5-oxo-7-(propan-2-yl)-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
2-amino-7-isopropyl-5-oxo-chromeno[2,3-b]pyridine-3-carboxylic acid;amlexanox
A836094
NCGC00167472-02
2-amino-7-isopropyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
brl1c2459k ,
unii-brl1c2459k
amlexanox [usan:inn:ban:jan]
dtxcid902595
tox21_112476
dtxsid2022595 ,
cas-68302-57-8
HMS2235M08
S3648
CCG-100953
FT-0641176
AKOS015900498
amlexanox [inn]
amlexanox [usan]
2-amino-7-isopropyl-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
amlexanox [vandf]
amlexanox [mart.]
amlexanox [jan]
amlexanox [who-dd]
5h-(1)benzopyrano(2,3-.beta.)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-
amlexanox [mi]
amlexanox [orange book]
gtpl7113
HY-B0713
AB00639947-06
MLS006010129
NC00203
SCHEMBL29642
NCGC00167472-03
tox21_112476_1
2-amino-7-(1-methylethyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
DS-1396
AB00639947_08
4WBO
mfcd00864790
2-amino-7-isopropyl-5-oxo-5h-[1]benzopyrano[2,3-b] pyridine-3-carboxylic acid
chx3673
aa673
amlexanox, united states pharmacopeia (usp) reference standard
amlexanox, >=98% (hplc)
HMS3715B14
2-amino-7-isopropyl-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylicacid
BCP28222
Q695611
us10214536, amlexanox
bdbm357857
NCGC00167472-14
aa673;amoxanox;chx3673
2-amino-7-isopropyl-5-oxo-5h-chromeno-[2,3-b]pyridine-3-carboxylic acid
aa-673(amlexanox)
5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-
2-amino-7-(1-methylethyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid amoxanox aa-673 chx-3673 aphthasol elics solfa
amlexanox- bio-x
BA164161
EN300-7361924
amlexanox (mart.)
amlexanoxum (latin)
r03dx01
5h-(1)benzopyrano(2,3-beta)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-
2-amino-7-(1-methylethyl)-5-oxo-5h-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid
a01ad07
2-amino-5-oxo-7-(propan-2-yl)-5h-chromeno(2,3-b)pyridine-3-carboxylic acid
SY053135

Research Excerpts

Overview

ExcerptReference
"Amlexanox (AMX) is an azoxanthone drug used for decades for the treatment of mouth aphthous ulcers and now considered for the treatment of diabetes and obesity. "( Bailly, C, 2022)
"Amlexanox is an anti-inflammatory and anti-allergic drug that is used to treat recurrent aphthous ulcers."( Cho, CC; Chou, RH; Yu, C, 2016)
"Amlexanox is an antiallergic agent, with a structure similar to that of SCG."( Chida, K; Hayakawa, H; Imokawa, S; Nakazawa, K; Satou, A; Taniguchi, M; Toyoshima, M, 1993)

Effects

ExcerptReference
"Amlexanox has also been legally utilized and administered in Japan as a treatment for asthma, a chronic pulmonary disease characterized by inflammation of the lower respiratory tract."( Dosanjh, A; Won, CY, 2020)
"Amlexanox has been developed as a 5 percent topical oral paste for the treatment of patients with recurrent aphthous stomatitis (RAS) in most European countries. "( Chen, Q; Chen, R; Dong, Y; Gao, F; Jiang, L; Lin, M; Liu, J; Meng, W; Wang, Z; Xu, T; Zeng, X; Zhong, X; Zhou, H, 2009)

Actions

ExcerptReference
"Amlexanox did not increase the cyclic adenosine monophosphate (cyclicAMP) content of ciliary muscles in the presence of 3-isobutyl-1-methylxanthine (10 microM), while forskolin (1 microM) did."( Gomi, Y; Mizutani, K; Ogawa, T; Tominaga, Y; Tsunobuchi-Ushijima, H; Watanabe, N, 2000)

Treatment

ExcerptReference
"Treatment of amlexanox (50 μM) showed significantly reduced phosphorylation of TBK1 and IKKε and hepatotoxicity as confirmed by decreased levels of lactate dehydrogenase released from hepatocytes."( Kim, B; Kim, JW; Lim, CW; Qi, J; Zhou, Z, 2020)

Roles (3)

RoleDescription
anti-allergic agentA drug used to treat allergic reactions.
anti-ulcer drugOne of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
non-steroidal anti-inflammatory drugAn anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
[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 (2)

ClassDescription
pyridochromeneAn organic heterotricyclic compound composed of a pyridine ring fused to a chromene.
monocarboxylic acidAn oxoacid containing a single carboxy group.
[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 (62)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency22.33420.140911.194039.8107AID2451
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency31.62280.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency0.36880.007215.758889.3584AID1224835; AID588342; AID624030
RAR-related orphan receptor gammaMus musculus (house mouse)Potency0.84690.006038.004119,952.5996AID1159521; AID1159523
SMAD family member 2Homo sapiens (human)Potency16.93010.173734.304761.8120AID1346859; AID1346924
USP1 protein, partialHomo sapiens (human)Potency56.23410.031637.5844354.8130AID504865
PPM1D proteinHomo sapiens (human)Potency29.41070.00529.466132.9993AID1347411
SMAD family member 3Homo sapiens (human)Potency16.93010.173734.304761.8120AID1346859; AID1346924
AR proteinHomo sapiens (human)Potency6.18530.000221.22318,912.5098AID1259243; AID1259247; AID1259381; AID743036; AID743040; AID743042; AID743053; AID743054
caspase 7, apoptosis-related cysteine proteaseHomo sapiens (human)Potency1.18830.013326.981070.7614AID1346978
estrogen receptor 2 (ER beta)Homo sapiens (human)Potency29.84930.000657.913322,387.1992AID1259377
hypothetical protein, conservedTrypanosoma bruceiPotency15.84890.223911.245135.4813AID624173
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency0.93480.001022.650876.6163AID1224838; AID1224839; AID1224893
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency12.30180.01237.983543.2770AID1645841
EWS/FLI fusion proteinHomo sapiens (human)Potency25.01180.001310.157742.8575AID1259252; AID1259253; AID1259255
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency2.40380.003041.611522,387.1992AID1159552; AID1159553; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency26.83250.000817.505159.3239AID1159527
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency1.59800.001530.607315,848.9004AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403
pregnane X nuclear receptorHomo sapiens (human)Potency0.33490.005428.02631,258.9301AID1346982
estrogen nuclear receptor alphaHomo sapiens (human)Potency10.36110.000229.305416,493.5996AID743069; AID743075; AID743078; AID743080; AID743091
GVesicular stomatitis virusPotency13.80290.01238.964839.8107AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency13.80290.00108.379861.1304AID1645840
glucocerebrosidaseHomo sapiens (human)Potency17.78280.01268.156944.6684AID2101
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency13.33220.001024.504861.6448AID743212
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency23.70830.023723.228263.5986AID743222
alpha-galactosidaseHomo sapiens (human)Potency31.62284.466818.391635.4813AID1467
pyruvate kinaseLeishmania mexicana mexicanaPotency7.07950.398113.744731.6228AID1721; AID1722
caspase-3Homo sapiens (human)Potency1.18830.013326.981070.7614AID1346978
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
aryl hydrocarbon receptorHomo sapiens (human)Potency1.25990.000723.06741,258.9301AID743085; AID743122
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency0.84130.001723.839378.1014AID743083
nuclear receptor subfamily 1, group I, member 2Rattus norvegicus (Norway rat)Potency4.46680.10009.191631.6228AID1346983
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency35.48130.036619.637650.1187AID1466; AID2242
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.31620.01262.451825.0177AID485313
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency39.81070.354828.065989.1251AID504847
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency29.84930.000323.4451159.6830AID743065; AID743067
histone deacetylase 9 isoform 3Homo sapiens (human)Potency0.40880.037617.082361.1927AID1259364; AID1259388
pyruvate kinase PKM isoform aHomo sapiens (human)Potency14.12540.04017.459031.6228AID1631; AID1634
ras-related protein Rab-9AHomo sapiens (human)Potency0.50120.00022.621531.4954AID485297
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency20.91570.000627.21521,122.0200AID743202; AID743219
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency7.30810.00798.23321,122.0200AID2546; AID2551
peripheral myelin protein 22Rattus norvegicus (Norway rat)Potency18.10560.005612.367736.1254AID624032
Interferon betaHomo sapiens (human)Potency25.50870.00339.158239.8107AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency13.80290.01238.964839.8107AID1645842
Cellular tumor antigen p53Homo sapiens (human)Potency16.78550.002319.595674.0614AID651631
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency35.48133.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency35.48133.548118.039535.4813AID1466
Endothelin receptor type BRattus norvegicus (Norway rat)Potency7.07950.562315.160931.6228AID1721
Endothelin-1 receptorRattus norvegicus (Norway rat)Potency7.07950.562315.160931.6228AID1721
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency13.80290.01238.964839.8107AID1645842
ATPase family AAA domain-containing protein 5Homo sapiens (human)Potency5.12330.011917.942071.5630AID651632; AID720516
Ataxin-2Homo sapiens (human)Potency4.73080.011912.222168.7989AID651632
cytochrome P450 2C9, partialHomo sapiens (human)Potency13.80290.01238.964839.8107AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Replicase polyprotein 1abBetacoronavirus England 1IC50 (µMol)10.00000.00403.43889.5100AID1640022
ATP-binding cassette sub-family C member 3Homo sapiens (human)IC50 (µMol)133.00000.63154.45319.3000AID1473740
Multidrug resistance-associated protein 4Homo sapiens (human)IC50 (µMol)2.20000.20005.677410.0000AID1473741
Bile salt export pumpHomo sapiens (human)IC50 (µMol)104.00000.11007.190310.0000AID1473738
Inhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)IC50 (µMol)5.11430.00021.08555.1286AID1408911
Canalicular multispecific organic anion transporter 1Homo sapiens (human)IC50 (µMol)133.00002.41006.343310.0000AID1473739
Serine/threonine-protein kinase TBK1Homo sapiens (human)IC50 (µMol)0.85060.00220.85656.2200AID1408909
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
TransthyretinHomo sapiens (human)Kd20.00000.00301.348210.0000AID1774077
G-protein coupled receptor 35Homo sapiens (human)EC50 (µMol)4.00000.00202.50079.8000AID1460080
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (268)

Processvia Protein(s)Taxonomy
xenobiotic metabolic processATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
bile acid and bile salt transportATP-binding cassette sub-family C member 3Homo sapiens (human)
glucuronoside transportATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transportATP-binding cassette sub-family C member 3Homo sapiens (human)
transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
leukotriene transportATP-binding cassette sub-family C member 3Homo sapiens (human)
monoatomic anion transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
transport across blood-brain barrierATP-binding cassette sub-family C member 3Homo sapiens (human)
prostaglandin secretionMultidrug resistance-associated protein 4Homo sapiens (human)
cilium assemblyMultidrug resistance-associated protein 4Homo sapiens (human)
platelet degranulationMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic metabolic processMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
bile acid and bile salt transportMultidrug resistance-associated protein 4Homo sapiens (human)
prostaglandin transportMultidrug resistance-associated protein 4Homo sapiens (human)
urate transportMultidrug resistance-associated protein 4Homo sapiens (human)
glutathione transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
cAMP transportMultidrug resistance-associated protein 4Homo sapiens (human)
leukotriene transportMultidrug resistance-associated protein 4Homo sapiens (human)
monoatomic anion transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
export across plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
transport across blood-brain barrierMultidrug resistance-associated protein 4Homo sapiens (human)
guanine nucleotide transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
fatty acid metabolic processBile salt export pumpHomo sapiens (human)
bile acid biosynthetic processBile salt export pumpHomo sapiens (human)
xenobiotic metabolic processBile salt export pumpHomo sapiens (human)
xenobiotic transmembrane transportBile salt export pumpHomo sapiens (human)
response to oxidative stressBile salt export pumpHomo sapiens (human)
bile acid metabolic processBile salt export pumpHomo sapiens (human)
response to organic cyclic compoundBile salt export pumpHomo sapiens (human)
bile acid and bile salt transportBile salt export pumpHomo sapiens (human)
canalicular bile acid transportBile salt export pumpHomo sapiens (human)
protein ubiquitinationBile salt export pumpHomo sapiens (human)
regulation of fatty acid beta-oxidationBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transportBile salt export pumpHomo sapiens (human)
bile acid signaling pathwayBile salt export pumpHomo sapiens (human)
cholesterol homeostasisBile salt export pumpHomo sapiens (human)
response to estrogenBile salt export pumpHomo sapiens (human)
response to ethanolBile salt export pumpHomo sapiens (human)
xenobiotic export from cellBile salt export pumpHomo sapiens (human)
lipid homeostasisBile salt export pumpHomo sapiens (human)
phospholipid homeostasisBile salt export pumpHomo sapiens (human)
positive regulation of bile acid secretionBile salt export pumpHomo sapiens (human)
regulation of bile acid metabolic processBile salt export pumpHomo sapiens (human)
transmembrane transportBile salt export pumpHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
positive regulation of T cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
adaptive immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independentHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of T cell anergyHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
defense responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
detection of bacteriumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-12 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-6 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protection from natural killer cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
innate immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of dendritic cell differentiationHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class IbHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signal transductionTransthyretinHomo sapiens (human)
purine nucleobase metabolic processTransthyretinHomo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
immune responseInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damageInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
gene expressionInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
positive regulation of lipid storageInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
positive regulation of type I interferon productionInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
response to interferon-betaInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
positive regulation of canonical NF-kappaB signal transductionInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
regulation of protein-containing complex assemblyInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
mRNA stabilizationInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
positive regulation of DNA-binding transcription factor activityInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
defense response to virusInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
type I interferon-mediated signaling pathwayInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
positive regulation of type I interferon-mediated signaling pathwayInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
interleukin-17-mediated signaling pathwayInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
cellular response to virusInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
peptidyl-serine phosphorylationInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
inositol phosphate metabolic processInositol hexakisphosphate kinase 1Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
negative regulation of cold-induced thermogenesisInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
xenobiotic metabolic processCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
negative regulation of gene expressionCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bile acid and bile salt transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bilirubin transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
heme catabolic processCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic export from cellCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transepithelial transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
leukotriene transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
monoatomic anion transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transport across blood-brain barrierCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transport across blood-brain barrierCanalicular multispecific organic anion transporter 1Homo sapiens (human)
cell population proliferationATPase family AAA domain-containing protein 5Homo sapiens (human)
positive regulation of B cell proliferationATPase family AAA domain-containing protein 5Homo sapiens (human)
nuclear DNA replicationATPase family AAA domain-containing protein 5Homo sapiens (human)
signal transduction in response to DNA damageATPase family AAA domain-containing protein 5Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorATPase family AAA domain-containing protein 5Homo sapiens (human)
isotype switchingATPase family AAA domain-containing protein 5Homo sapiens (human)
positive regulation of DNA replicationATPase family AAA domain-containing protein 5Homo sapiens (human)
positive regulation of isotype switching to IgG isotypesATPase family AAA domain-containing protein 5Homo sapiens (human)
DNA clamp unloadingATPase family AAA domain-containing protein 5Homo sapiens (human)
regulation of mitotic cell cycle phase transitionATPase family AAA domain-containing protein 5Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorATPase family AAA domain-containing protein 5Homo sapiens (human)
positive regulation of cell cycle G2/M phase transitionATPase family AAA domain-containing protein 5Homo sapiens (human)
negative regulation of receptor internalizationAtaxin-2Homo sapiens (human)
regulation of translationAtaxin-2Homo sapiens (human)
RNA metabolic processAtaxin-2Homo sapiens (human)
P-body assemblyAtaxin-2Homo sapiens (human)
stress granule assemblyAtaxin-2Homo sapiens (human)
RNA transportAtaxin-2Homo sapiens (human)
cytoskeleton organizationG-protein coupled receptor 35Homo sapiens (human)
G protein-coupled receptor signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationG-protein coupled receptor 35Homo sapiens (human)
chemokine-mediated signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
negative regulation of voltage-gated calcium channel activityG-protein coupled receptor 35Homo sapiens (human)
negative regulation of neuronal action potentialG-protein coupled receptor 35Homo sapiens (human)
positive regulation of Rho protein signal transductionG-protein coupled receptor 35Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
activation of innate immune responseSerine/threonine-protein kinase TBK1Homo sapiens (human)
cytoplasmic pattern recognition receptor signaling pathwaySerine/threonine-protein kinase TBK1Homo sapiens (human)
protein phosphorylationSerine/threonine-protein kinase TBK1Homo sapiens (human)
inflammatory responseSerine/threonine-protein kinase TBK1Homo sapiens (human)
canonical NF-kappaB signal transductionSerine/threonine-protein kinase TBK1Homo sapiens (human)
response to virusSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of autophagySerine/threonine-protein kinase TBK1Homo sapiens (human)
negative regulation of gene expressionSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of macroautophagySerine/threonine-protein kinase TBK1Homo sapiens (human)
peptidyl-serine phosphorylationSerine/threonine-protein kinase TBK1Homo sapiens (human)
peptidyl-threonine phosphorylationSerine/threonine-protein kinase TBK1Homo sapiens (human)
regulation of type I interferon productionSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of type I interferon productionSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of interferon-alpha productionSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of interferon-beta productionSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylationSerine/threonine-protein kinase TBK1Homo sapiens (human)
toll-like receptor 4 signaling pathwaySerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transductionSerine/threonine-protein kinase TBK1Homo sapiens (human)
dendritic cell proliferationSerine/threonine-protein kinase TBK1Homo sapiens (human)
innate immune responseSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of transcription by RNA polymerase IISerine/threonine-protein kinase TBK1Homo sapiens (human)
defense response to Gram-positive bacteriumSerine/threonine-protein kinase TBK1Homo sapiens (human)
defense response to virusSerine/threonine-protein kinase TBK1Homo sapiens (human)
type I interferon-mediated signaling pathwaySerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of type I interferon-mediated signaling pathwaySerine/threonine-protein kinase TBK1Homo sapiens (human)
antiviral innate immune responseSerine/threonine-protein kinase TBK1Homo sapiens (human)
cGAS/STING signaling pathwaySerine/threonine-protein kinase TBK1Homo sapiens (human)
negative regulation of TORC1 signalingSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of TORC1 signalingSerine/threonine-protein kinase TBK1Homo sapiens (human)
positive regulation of xenophagySerine/threonine-protein kinase TBK1Homo sapiens (human)
macroautophagySerine/threonine-protein kinase TBK1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (89)

Processvia Protein(s)Taxonomy
ATP bindingATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type xenobiotic transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
glucuronoside transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type bile acid transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATP hydrolysis activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATPase-coupled transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
icosanoid transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
guanine nucleotide transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
protein bindingMultidrug resistance-associated protein 4Homo sapiens (human)
ATP bindingMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type xenobiotic transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
prostaglandin transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
urate transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
purine nucleotide transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type bile acid transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
efflux transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATP hydrolysis activityMultidrug resistance-associated protein 4Homo sapiens (human)
glutathione transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATPase-coupled transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
protein bindingBile salt export pumpHomo sapiens (human)
ATP bindingBile salt export pumpHomo sapiens (human)
ABC-type xenobiotic transporter activityBile salt export pumpHomo sapiens (human)
bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
canalicular bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transporter activityBile salt export pumpHomo sapiens (human)
ABC-type bile acid transporter activityBile salt export pumpHomo sapiens (human)
ATP hydrolysis activityBile salt export pumpHomo sapiens (human)
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signaling receptor bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
peptide antigen bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein-folding chaperone bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
hormone activityTransthyretinHomo sapiens (human)
protein bindingTransthyretinHomo sapiens (human)
identical protein bindingTransthyretinHomo sapiens (human)
thyroid hormone bindingTransthyretinHomo sapiens (human)
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
K63-linked polyubiquitin modification-dependent protein bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
protein serine/threonine kinase activityInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
protein bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
ATP bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
IkappaB kinase activityInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
protein phosphatase bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
ubiquitin protein ligase bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
K48-linked polyubiquitin modification-dependent protein bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
identical protein bindingInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol heptakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
ATP bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 1-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 3-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATP bindingCanalicular multispecific organic anion transporter 1Homo sapiens (human)
organic anion transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type xenobiotic transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bilirubin transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATP hydrolysis activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATPase-coupled transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
protein bindingATPase family AAA domain-containing protein 5Homo sapiens (human)
ATP bindingATPase family AAA domain-containing protein 5Homo sapiens (human)
ATP hydrolysis activityATPase family AAA domain-containing protein 5Homo sapiens (human)
DNA clamp unloader activityATPase family AAA domain-containing protein 5Homo sapiens (human)
DNA bindingATPase family AAA domain-containing protein 5Homo sapiens (human)
RNA bindingAtaxin-2Homo sapiens (human)
epidermal growth factor receptor bindingAtaxin-2Homo sapiens (human)
protein bindingAtaxin-2Homo sapiens (human)
mRNA bindingAtaxin-2Homo sapiens (human)
C-X-C chemokine receptor activityG-protein coupled receptor 35Homo sapiens (human)
G protein-coupled receptor activityG-protein coupled receptor 35Homo sapiens (human)
C-X-C chemokine receptor activityG-protein coupled receptor 35Homo sapiens (human)
nucleic acid bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
protein kinase activitySerine/threonine-protein kinase TBK1Homo sapiens (human)
protein serine/threonine kinase activitySerine/threonine-protein kinase TBK1Homo sapiens (human)
protein bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
ATP bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
protein phosphatase bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
identical protein bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
phosphoprotein bindingSerine/threonine-protein kinase TBK1Homo sapiens (human)
protein serine kinase activitySerine/threonine-protein kinase TBK1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (54)

Processvia Protein(s)Taxonomy
plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
basal plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
basolateral plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
nucleolusMultidrug resistance-associated protein 4Homo sapiens (human)
Golgi apparatusMultidrug resistance-associated protein 4Homo sapiens (human)
plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
membraneMultidrug resistance-associated protein 4Homo sapiens (human)
basolateral plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
apical plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
platelet dense granule membraneMultidrug resistance-associated protein 4Homo sapiens (human)
external side of apical plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
basolateral plasma membraneBile salt export pumpHomo sapiens (human)
Golgi membraneBile salt export pumpHomo sapiens (human)
endosomeBile salt export pumpHomo sapiens (human)
plasma membraneBile salt export pumpHomo sapiens (human)
cell surfaceBile salt export pumpHomo sapiens (human)
apical plasma membraneBile salt export pumpHomo sapiens (human)
intercellular canaliculusBile salt export pumpHomo sapiens (human)
intracellular canaliculusBile salt export pumpHomo sapiens (human)
recycling endosomeBile salt export pumpHomo sapiens (human)
recycling endosome membraneBile salt export pumpHomo sapiens (human)
extracellular exosomeBile salt export pumpHomo sapiens (human)
membraneBile salt export pumpHomo sapiens (human)
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
Golgi membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
endoplasmic reticulumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
Golgi apparatusHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
cell surfaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
ER to Golgi transport vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
secretory granule membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
phagocytic vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
early endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
recycling endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular exosomeHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
lumenal side of endoplasmic reticulum membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
MHC class I protein complexHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular spaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
external side of plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular regionTransthyretinHomo sapiens (human)
extracellular spaceTransthyretinHomo sapiens (human)
azurophil granule lumenTransthyretinHomo sapiens (human)
extracellular exosomeTransthyretinHomo sapiens (human)
extracellular spaceTransthyretinHomo sapiens (human)
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
cytoplasmInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
nucleusInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
nucleoplasmInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
cytoplasmInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
cytosolInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
PML bodyInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
mitochondrial membraneInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
serine/threonine protein kinase complexInhibitor of nuclear factor kappa-B kinase subunit epsilonHomo sapiens (human)
fibrillar centerInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
cytosolInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleusInositol hexakisphosphate kinase 1Homo sapiens (human)
cytoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
cell surfaceCanalicular multispecific organic anion transporter 1Homo sapiens (human)
apical plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
intercellular canaliculusCanalicular multispecific organic anion transporter 1Homo sapiens (human)
apical plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
Elg1 RFC-like complexATPase family AAA domain-containing protein 5Homo sapiens (human)
nucleusATPase family AAA domain-containing protein 5Homo sapiens (human)
cytoplasmAtaxin-2Homo sapiens (human)
Golgi apparatusAtaxin-2Homo sapiens (human)
trans-Golgi networkAtaxin-2Homo sapiens (human)
cytosolAtaxin-2Homo sapiens (human)
cytoplasmic stress granuleAtaxin-2Homo sapiens (human)
membraneAtaxin-2Homo sapiens (human)
perinuclear region of cytoplasmAtaxin-2Homo sapiens (human)
ribonucleoprotein complexAtaxin-2Homo sapiens (human)
cytoplasmic stress granuleAtaxin-2Homo sapiens (human)
plasma membraneG-protein coupled receptor 35Homo sapiens (human)
plasma membraneG-protein coupled receptor 35Homo sapiens (human)
cytoplasmSerine/threonine-protein kinase TBK1Homo sapiens (human)
cytosolSerine/threonine-protein kinase TBK1Homo sapiens (human)
nucleoplasmSerine/threonine-protein kinase TBK1Homo sapiens (human)
cytoplasmSerine/threonine-protein kinase TBK1Homo sapiens (human)
cytosolSerine/threonine-protein kinase TBK1Homo sapiens (human)
intracellular membrane-bounded organelleSerine/threonine-protein kinase TBK1Homo sapiens (human)
serine/threonine protein kinase complexSerine/threonine-protein kinase TBK1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (74)

Assay IDTitleYearJournalArticle
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
Highly predictive and interpretable models for PAMPA permeability.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508591NCATS Rat Liver Microsome Stability Profiling2020Scientific reports, 11-26, Volume: 10, Issue:1
Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID588218FDA HLAED, lactate dehydrogenase (LDH) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588217FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588214FDA HLAED, liver enzyme composite activity2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588219FDA HLAED, gamma-glutamyl transferase (GGT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588216FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID182625Compound was evaluated for anti passive cutaneous anaphylaxis activity in nonfasted rats administered oral route1985Journal of medicinal chemistry, May, Volume: 28, Issue:5
Studies on antianaphylactic agents. 7. Synthesis of antiallergic 5-oxo-5H-[1]benzopyrano[2,3-b]pyridines.
AID1408911Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1473739Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID588215FDA HLAED, alkaline phosphatase increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1408907Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells at 5 uM using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1408916Thermodynamic aqueous solubility in PBS of pH 7.4 after overnight incubation by chemiluminescent nitrogen detection2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID182623Compound was evaluated for anti passive cutaneous anaphylaxis activity in fasted rats administered oral route1985Journal of medicinal chemistry, May, Volume: 28, Issue:5
Studies on antianaphylactic agents. 7. Synthesis of antiallergic 5-oxo-5H-[1]benzopyrano[2,3-b]pyridines.
AID1408906Induction of insulin-induced hypoglycemia in C57BL/6 obese mouse model at 25 mg/kg administered daily via oral gavage measured post 4 weeks of treatment by insulin tolerance test2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1408909Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1460080Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay2017Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1
Discovery of 2H-Chromen-2-one Derivatives as G Protein-Coupled Receptor-35 Agonists.
AID1408908Antidiabetic activity in C57BL/6 obese mouse model assessed as reduction in blood glucose level at 25 mg/kg administered daily via oral gavage measured post 3 weeks of treatment by glucose tolerance test2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID182626Anti-passive cutaneous anaphylaxis activity in rat (intravenous administration)1985Journal of medicinal chemistry, May, Volume: 28, Issue:5
Studies on antianaphylactic agents. 7. Synthesis of antiallergic 5-oxo-5H-[1]benzopyrano[2,3-b]pyridines.
AID1408917Increase in serum IL6 levels in C57BL/6 obese mouse model at 25 mg/kg administered via oral gavage measured 6 hrs post treatment by ELISA2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1774075Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli assessed as ANS saturation ratio at 400 uM incubated for 1 hr in presence of 7.5 uM ANS by fluorescence method (Rvb = 56 +/- 2.3%)2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1408905Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells at 1 uM using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay2018Bioorganic & medicinal chemistry, 11-01, Volume: 26, Issue:20
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.
AID1774077Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence method2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1473741Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473738Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1774076Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli at 400 uM incubated for 1 hr in presence of 75 uM ANS by fluorescence method (Rvb = 91 +/- 0.92%)2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID227700Anticonvulsant activity2003Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16
Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.
AID1473740Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1774079Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 10 uM incubated for 1 week by absorbance method2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1774078Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 4 uM incubated for 1 week by absorbance method2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1645848NCATS Kinetic Aqueous Solubility Profiling2019Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14
Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1345624Human inhibitor of nuclear factor kappa B kinase subunit epsilon (IKK family)2013Nature medicine, Mar, Volume: 19, Issue:3
An inhibitor of the protein kinases TBK1 and IKK-ɛ improves obesity-related metabolic dysfunctions in mice.
AID1345864Human TANK binding kinase 1 (IKK family)2013Nature medicine, Mar, Volume: 19, Issue:3
An inhibitor of the protein kinases TBK1 and IKK-ɛ improves obesity-related metabolic dysfunctions in mice.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB2014Molecules (Basel, Switzerland), Oct-22, Volume: 19, Issue:10
Identification and characterization of amlexanox as a G protein-coupled receptor kinase 5 inhibitor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (136)

TimeframeStudies, This Drug (%)All Drugs %
pre-199011 (8.09)18.7374
1990's24 (17.65)18.2507
2000's23 (16.91)29.6817
2010's46 (33.82)24.3611
2020's32 (23.53)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 (%)
Trials16 (11.59%)5.53%
Reviews10 (7.25%)6.00%
Case Studies5 (3.62%)4.05%
Observational0 (0.00%)0.25%
Other107 (77.54%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (3)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
A Double-blind, Randomized, Vehicle-controlled Phase II Study to Determine the Effects of Concomitant Treatment With Amlexanox 0.5% Oral Rinse Solution on Oral Mucositis Associated With Radiation Therapy for Cancer of the Head and Neck Region[NCT01083875]Phase 258 participants (Actual)Interventional2000-02-29Completed
Clinical Protocol to Investigate the Efficacy of Amlexanox for Treatment of Glucose and Lipid Abnormalities in Obese Type 2 Diabetics[NCT01842282]Phase 215 participants (Anticipated)Interventional2013-07-19Suspended(stopped due to Funding struggles, may resume recruitment if funding problems resolve)
Clinical Protocol to Investigate the Efficacy of Amlexanox vs. Placebo for Treatment of Glucose and Lipid Abnormalities in Obese Type 2 Diabetics[NCT01975935]Phase 242 participants (Actual)Interventional2014-01-31Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Change in Weight

Change in weight (kilograms) as measured at baseline and week 12 visits. (NCT01975935)
Timeframe: 12 week

,
Interventionkilograms (Mean)
BaselineWeek 12
Amlexanox100.95100.81
Placebo100.2497.94

Difference in Hemoglobin A1c Values

Difference in hemoglobin A1c as measured at baseline and week 12 visits (NCT01975935)
Timeframe: 12 weeks (measured at baseline and 12 weeks)

,
Interventionpercentage of hemoglobin glycated (Mean)
BaselineWeek 12
Amlexanox7.687.44
Placebo7.777.76

Hepatic Steatosis as Measured by MRI

Improvement in hepatic steatosis by MRI is shown by a decrease in percent fat from baseline to week 12 visit. (NCT01975935)
Timeframe: 12 weeks

,
Intervention% fat (Mean)
BaselineWeek 12
Amlexanox1816.22
Placebo12.8212.88

SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
cromolyn sodium[no description available]medium110organic sodium saltanti-asthmatic drug;
drug allergen
pyrrolidonecarboxylic acid[no description available]medium10oxoproline;
pyrrolidin-2-ones;
pyrrolidinemonocarboxylic acid		human metabolite
pipecolic acid[no description available]medium10piperidinemonocarboxylic acid
acetanilide[no description available]medium10acetamides;
anilide		analgesic
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
salophen[no description available]medium10carbonyl compound
Acetylpheneturide[no description available]medium10organic molecular entity
albendazole[no description available]medium20aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
4-amino-3-hydroxybutyric acid[no description available]medium103-hydroxy monocarboxylic acid;
amino acid zwitterion;
gamma-amino acid
amlodipine[no description available]medium30dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
arecoline[no description available]medium10enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
arotinolol[no description available]medium10aromatic amide;
thiophenes
atenolol[no description available]medium30ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
benzocaine[no description available]medium20benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
verapamil[no description available]medium30aromatic ether;
nitrile;
polyether;
tertiary amino compound
cannabinol[no description available]medium10dibenzopyran
carbamazepine[no description available]medium30dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbetapentane[no description available]medium10benzenes
clobazam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
cycloleucine[no description available]medium10non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyclothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
dimethadione[no description available]medium10oxazolidinone
valproic acid[no description available]medium20branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
ethosuximide[no description available]medium20dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
felbamate[no description available]medium20carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium30dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
gabapentin[no description available]medium20gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glutethimide[no description available]medium10piperidines
guvacine[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		GABA reuptake inhibitor;
plant metabolite
ifosfamide[no description available]medium30ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
iproniazid[no description available]medium20carbohydrazide;
pyridines
lamotrigine[no description available]medium301,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
metharbital[no description available]medium10organic molecular entity
moclobemide[no description available]medium20benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium20acetamides;
benzamides		anti-arrhythmia drug
deoxyepinephrine[no description available]medium10catecholamine
nicardipine[no description available]medium30benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium30C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nimodipine[no description available]medium302-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nipecotic acid[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid
nisoldipine[no description available]medium30C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium201,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
phenacemide[no description available]medium10acetamides
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
primidone[no description available]medium30pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
riluzole[no description available]medium30benzothiazoles
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulthiame[no description available]medium10organic molecular entity
trimethadione[no description available]medium20oxazolidinoneanticonvulsant;
geroprotector
vigabatrin[no description available]medium20gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
zonisamide[no description available]medium201,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
prednisolone[no description available]medium2011beta-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
carbachol[no description available]medium30ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
metaraminol[no description available]medium10phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
phencyclidine[no description available]medium10benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
caramiphen[no description available]medium10benzenes
methsuximide[no description available]medium10organic molecular entity
phthalimide[no description available]medium10phthalimides
phensuximide[no description available]medium10pyrrolidines
amido-g-acid[no description available]medium10
cyclopentamine[no description available]medium10secondary amino compound
caprolactam[no description available]medium10caprolactamshuman blood serum metabolite
mephobarbital[no description available]medium10barbituratesanticonvulsant
paramethadione[no description available]medium10oxazolidinoneanticonvulsant
cyclopentanone[no description available]medium10cyclopentanonesMaillard reaction product
benactyzine[no description available]medium10diarylmethane
phetharbital[no description available]medium10barbiturates
prenylamine[no description available]medium10diarylmethane
beclamide[no description available]medium10benzenes
chlormethiazole[no description available]medium10thiazoles
glybuthiazol[no description available]medium10benzenes;
sulfonamide
pronarcon[no description available]medium10barbiturates
improsan[no description available]medium10organosulfonic ester
iproclozide[no description available]medium10aromatic ether
aminopentamide[no description available]medium10diarylmethane
benomyl[no description available]medium10aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
alclofenac[no description available]high10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
carticaine[no description available]medium10thiophenecarboxylic acid
amoscanate[no description available]medium10C-nitro compound;
isothiocyanate;
secondary amino compound		schistosomicide drug
amoxicillin[no description available]medium30penicillin allergen;
penicillin		antibacterial drug
eterobarb[no description available]medium10barbiturates
adinazolam[no description available]medium10triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
diltiazem[no description available]medium305-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
progabide[no description available]medium10diarylmethane
lidamidine[no description available]medium10ureas
acifran[no description available]medium10
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
adenosine[no description available]medium20adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
d-lactic acid[no description available]medium102-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
heptenophos[no description available]medium10organochlorine compound;
organophosphate insecticide;
trialkyl phosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
trihexyphenidyl hydrochloride[no description available]medium10aralkylamine
g 29505[no description available]medium10methoxybenzenes
acefylline[no description available]medium10oxopurine
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
aceclofenac[no description available]high20amino 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
amphotalide[no description available]medium10phthalimides
fluoresone[no description available]medium10sulfonamide
alacepril[no description available]medium10dipeptide;
thioacetate ester		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
agroclavine[no description available]medium10ergot alkaloid
n-(hydroxymethyl)nicotinamide[no description available]medium10pyridinecarboxamide
proline[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
camphora[no description available]medium10camphor
tevenel[no description available]medium10sulfonamide
fluoracizine[no description available]medium10phenothiazines
ritonavir[no description available]medium601,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
arbutin[no description available]medium10beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
cinromide[no description available]medium10cinnamamides;
secondary carboxamide
flunarizine[no description available]medium10diarylmethane
benztropine[no description available]medium20diarylmethane
albutoin[no description available]medium10organonitrogen compound;
organooxygen compound
adrafinil[no description available]medium10diarylmethane
linoleic acid[no description available]medium10octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
gemeprost[no description available]medium10aliphatic alcohol
topiramate[no description available]medium30cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
furazolidone[no description available]medium10
zr-512[no description available]medium10ethyl ester;
farnesane sesquiterpenoid		juvenile hormone mimic
nidroxyzone[no description available]medium10C-nitro compound;
furans
azimilide[no description available]medium10imidazolidine-2,4-dione
scopolamine hydrobromide[no description available]medium10
imidacloprid[no description available]medium10imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
tacrine[no description available]medium20acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol[no description available]medium10aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium30acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
albuterol[no description available]medium30phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alendronate[no description available]medium101,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprazolam[no description available]medium40organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
altretamine[no description available]medium10triamino-1,3,5-triazine
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
amifostine anhydrous[no description available]medium10diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
aminoglutethimide[no description available]medium20dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
theophylline[no description available]medium20dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium201-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium30carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amoxapine[no description available]medium20dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
anastrozole[no description available]medium20nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
apraclonidine[no description available]medium10dichlorobenzene;
guanidines;
imidazolines		alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug
aspirin[no description available]medium40benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
aspirin[no description available]medium41benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
astemizole[no description available]medium50benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
azathioprine[no description available]medium20aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
azelastine[no description available]medium30monochlorobenzenes;
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
baclofen[no description available]medium20amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bepridil[no description available]medium10pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bicalutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
brimonidine[no description available]medium10imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspirone[no description available]medium10azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium20methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butenafine[no description available]medium10naphthalenes;
tertiary amine		antifungal drug;
EC 1.14.13.132 (squalene monooxygenase) inhibitor
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carteolol[no description available]medium10quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
carvedilol[no description available]medium40carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cetirizine[no description available]high30ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
ciclopirox[no description available]medium20cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofloxacin[no description available]medium20aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride[no description available]medium10benzamides
clofazimine[no description available]medium20monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clomipramine[no description available]medium20dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonidine[no description available]medium10clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
cyclobenzaprine[no description available]medium10carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
diazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diclofenac[no description available]high10amino 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
diflunisal[no description available]medium20monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dipivefrin[no description available]medium10ethanolamines;
pivalate ester		adrenergic agonist;
antiglaucoma drug;
ophthalmology drug;
prodrug;
sympathomimetic agent
disopyramide[no description available]medium20monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium20organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
doxepin[no description available]medium20dibenzooxepine;
tertiary amino compound		antidepressant
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
econazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
enflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		anaesthetic
enoxacin[no description available]medium201,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
estazolam[no description available]medium10triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
etodolac[no description available]high10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium202-aminopurines;
acetate ester		antiviral drug;
prodrug
fenfluramine[no description available]medium10(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fexofenadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium20aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium20N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenil[no description available]medium20ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium20(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
fluphenazine depot[no description available]medium10decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
fluphenazine enanthate[no description available]medium10phenothiazines
flurbiprofen[no description available]high10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
foscarnet[no description available]medium10carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
furosemide[no description available]medium20chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium30aromatic etherantilipemic drug
glimepiride[no description available]medium20sulfonamide
glipizide[no description available]medium20aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
granisetron[no description available]medium10aromatic amide;
indazoles
guanfacine[no description available]medium20acetamides
haloperidol[no description available]medium50aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hydrochlorothiazide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium20one-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
hydroxyzine[no description available]medium40hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]high10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium20indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
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
iodixanol[no description available]medium10organoiodine compoundradioopaque medium
iohexol[no description available]medium20benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iopromide[no description available]medium10dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
ioversol[no description available]medium10amidobenzoic acid
isoflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
isoniazid[no description available]medium20carbohydrazideantitubercular agent;
drug allergen
isradipine[no description available]medium20benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium20piperazines
ketoconazole[no description available]medium30dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium40benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketorolac[no description available]high10amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
labetalol[no description available]medium20benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lansoprazole[no description available]medium20benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lomefloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
loratadine[no description available]medium20benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapine[no description available]medium10dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline[no description available]medium20anthracenes
mebendazole[no description available]medium50aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclofenamic acid[no description available]medium10aminobenzoic 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
mefenamic acid[no description available]medium20aminobenzoic 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
mefloquine hydrochloride[no description available]medium10organofluorine compound;
piperidines;
quinolines;
secondary alcohol
mesalamine[no description available]high10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin[no description available]medium20guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
metoclopramide[no description available]medium30benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium20aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium20aromatic ether;
primary amino compound		anti-arrhythmia drug
midazolam[no description available]medium20imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
midodrine[no description available]medium10amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
minoxidil[no description available]medium30dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium20benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nefazodone[no description available]medium20aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium20cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
masoprocol[no description available]medium10catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium20organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin[no description available]medium203-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium20aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium20carbazoles
oxaprozin[no description available]high301,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
pamidronate[no description available]medium10phosphonoacetic acid
pemoline[no description available]medium201,3-oxazolescentral nervous system stimulant
pentamidine[no description available]medium20aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentoxifylline[no description available]medium20oxopurine
perphenazine[no description available]medium50N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
pindolol[no description available]medium20indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pirbuterol[no description available]medium10pyridines
prazepam[no description available]medium10benzodiazepine
praziquantel[no description available]medium20isoquinolines
prazosin[no description available]medium20aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
propafenone[no description available]medium20aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
sch 16134[no description available]medium10benzodiazepine
ranitidine[no description available]medium20aralkylamine
rimantadine[no description available]medium10alkylamine
risperidone[no description available]medium201,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
salmeterol xinafoate[no description available]medium10ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sevoflurane[no description available]medium10ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sulfadiazine[no description available]medium20pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sotalol[no description available]medium20ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
sulconazole[no description available]medium10dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
sulfasalazine[no description available]medium20
sumatriptan[no description available]medium20sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
suprofen[no description available]high10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
tazarotene[no description available]medium20acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent
temazepam[no description available]medium10benzodiazepine
terazosin[no description available]medium20furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terfenadine[no description available]medium20diarylmethane
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiotepa[no description available]medium20aziridines
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tioconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
thiophenes
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium20benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
trazodone[no description available]medium20monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triazolam[no description available]medium10triazolobenzodiazepinesedative
trientine[no description available]medium10polyazaalkane;
tetramine		copper chelator
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
venlafaxine[no description available]medium20cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
ici 204,219[no description available]medium20carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium10imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zomepirac[no description available]high10aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
penicillamine[no description available]medium20non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
prednisone[no description available]medium2011-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
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
testosterone propionate[no description available]medium10steroid ester
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
cytarabine[no description available]medium20beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
methylprednisolone[no description available]medium206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
estradiol dipropionate[no description available]medium10steroid ester
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
estradiol 17 beta-cypionate[no description available]medium10steroid ester
testosterone enanthate[no description available]medium10heptanoate ester;
sterol ester		androgen
betamethasone[no description available]medium2011beta-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
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
podophyllotoxin[no description available]medium40furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
levocarnitine[no description available]medium10carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
megestrol acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin[no description available]medium20cyclic ketone;
erythromycin
levonorgestrel[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
estradiol valerate[no description available]medium10steroid ester
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
betamethasone valerate[no description available]medium1011beta-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
methylprednisolone hemisuccinate[no description available]medium10corticosteroid hormone;
hemisuccinate
stavudine[no description available]medium20dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
cyclacillin[no description available]medium10penicillinantibacterial drug
tranylcypromine[no description available]medium102-phenylcyclopropan-1-amine
cladribine[no description available]medium20organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
beclomethasone[no description available]medium1011beta-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
estradiol enanthate[no description available]medium10steroid ester
betamethasone-17,21-dipropionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
propanoate ester;
steroid ester		antipsoriatic
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
zalcitabine[no description available]medium20pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium206-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
cephalexin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
danazol[no description available]medium2017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
cephapirin[no description available]medium10cephalosporinantibacterial drug
bromocriptine[no description available]medium40indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
metipranolol[no description available]medium10acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
halazepam[no description available]medium10organic molecular entity
du-21220[no description available]medium10benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
moricizine[no description available]medium10carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
bitolterol[no description available]medium10carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
zidovudine[no description available]medium20azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
tobramycin[no description available]medium20amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]medium20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium20beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium20catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
penbutolol[no description available]medium10ethanolamines
ribavirin[no description available]medium201-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
guanadrel[no description available]medium10guanidines;
spiroketal		adrenergic antagonist;
antihypertensive agent
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
tocainide[no description available]medium10monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sq-11725[no description available]medium10
levobunolol[no description available]medium10aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist
vecuronium bromide[no description available]medium20organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist
permethrin[no description available]medium10cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
sufentanil[no description available]medium10anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
cefmetazole[no description available]medium10cephalosporinantibacterial drug
desflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
cefonicid[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
lodoxamide[no description available]medium20organonitrogen compound;
organooxygen compound
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
butoconazole[no description available]medium10aryl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
naftifine[no description available]medium10allylamine antifungal drug;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
sterol biosynthesis inhibitor
pergolide[no description available]medium10diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
cefadroxil anhydrous[no description available]medium20cephalosporinantibacterial drug
encainide[no description available]medium10benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
nedocromil[no description available]medium20dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
cefaclor anhydrous[no description available]medium20cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
cefotetan[no description available]medium20
lovastatin[no description available]medium20delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
levocabastine[no description available]medium20piperidines
simvastatin[no description available]medium20delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
cabergoline[no description available]medium20N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
quinapril[no description available]medium20dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
fosphenytoin[no description available]medium10imidazolidine-2,4-dione
finasteride[no description available]medium203-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
adapalene[no description available]high20adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
sparfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
zileuton[no description available]medium201-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
cidofovir anhydrous[no description available]medium20phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine[no description available]medium10organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
ibutilide[no description available]medium10benzenes;
organic amino compound
remifentanil[no description available]medium10alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
atorvastatin[no description available]medium10aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium20monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
irinotecan[no description available]medium10carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
methylprednisolone aceponate[no description available]medium10corticosteroid hormone
dexamethasone 17-valerate[no description available]medium1021-hydroxy steroid
dexamethasone dipropionate[no description available]medium10corticosteroid hormone
iopamidol[no description available]medium10benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
sertraline[no description available]medium10dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
erythromycin propionate[no description available]medium10erythromycin derivative
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
antebate[no description available]medium10corticosteroid hormone
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
flunisolide[no description available]medium2011beta-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
clarithromycin[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium203-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
moexipril[no description available]medium10peptide
methotrexate[no description available]medium50dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
docetaxel[no description available]medium10hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
levofloxacin[no description available]medium209-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
naproxen[no description available]high20methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
ropivacaine[no description available]medium10piperidinecarboxamide;
ropivacaine		local anaesthetic
estradiol 3-benzoate[no description available]medium1017beta-hydroxy steroid;
benzoate ester		estrogen receptor agonist;
xenoestrogen
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
pentostatin[no description available]medium20coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
quinidine[no description available]medium20cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium20alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
saquinavir[no description available]medium20L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
netilmicin[no description available]medium10
metyrosine[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
rocuronium bromide[no description available]medium20organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent
terconazole[no description available]medium101-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bacampicillin[no description available]medium10penicillanic acid esterprodrug
erythromycin ethylsuccinate[no description available]medium10cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
amcinonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
betamethasone acetate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone
acarbose[no description available]medium10amino cyclitol;
glycoside
tretinoin[no description available]medium20retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
mycophenolic acid[no description available]medium202-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
mupirocin[no description available]medium20alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
teniposide[no description available]medium20aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
dactinomycin[no description available]medium10actinomycinmutagen
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
sch 22219[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester		anti-inflammatory drug
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
cholinophyllin[no description available]medium10
fludarabine[no description available]medium10purine nucleoside
propylthiouracil[no description available]medium20pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
ipratropium bromide anhydrous[no description available]medium10
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium20aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
sulindac[no description available]high20monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
enclomiphene[no description available]medium10
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
succimer[no description available]medium10dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
streptozocin[no description available]medium10
tamoxifen[no description available]medium20stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
dezocine[no description available]medium10phenols;
primary amino compound		opioid analgesic
dapiprazole[no description available]medium10N-alkylpiperazine;
N-arylpiperazine;
pyridines		alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
flosequinan[no description available]medium10quinolines
calcitriol[no description available]medium20D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
alprostadil[no description available]medium20prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicort[no description available]medium2011beta-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
olopatadine[no description available]medium10
bw b1090u[no description available]medium10isoquinolines
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
etretinate[no description available]medium20enoate ester;
ethyl ester;
retinoid		keratolytic drug
isotretinoin[no description available]medium20retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
misoprostol[no description available]medium10
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
betamethasone benzoate[no description available]medium1021-hydroxy steroid
dorzolamide[no description available]medium10sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
ly 163892[no description available]medium10carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nalmefene[no description available]medium20morphinane alkaloid
calcipotriene[no description available]medium10cyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol		antipsoriatic;
drug allergen
clobetasol[no description available]medium4011beta-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
clobetasol[no description available]medium4111beta-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
fluticasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester		anti-allergic agent;
anti-asthmatic drug
halobetasol[no description available]medium10corticosteroid hormone
latanoprost[no description available]medium20isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
rimexolone[no description available]medium1020-oxo steroid
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium20dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
oxiconazole[no description available]medium10conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether		antiinfective agent
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
butorphanol[no description available]medium20morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium20dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril[no description available]medium10benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ramipril[no description available]medium20azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
indinavir sulfate[no description available]medium20dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril[no description available]medium20dicarboxylic 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
guanabenz[no description available]medium10dichlorobenzene
famotidine[no description available]medium201,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cci 15641[no description available]medium20cephalosporin
cefpodoxime[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
dirithromycin[no description available]medium10macrolide antibioticprodrug
cefpodoxime proxetil[no description available]medium20carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
nitrofurantoin[no description available]medium20imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
dantrolene[no description available]medium10
fosinopril[no description available]medium10
nystatin a1[no description available]medium10nystatins
mesna[no description available]medium20organosulfonic acid
cefamandole nafate[no description available]medium10organic sodium saltantibacterial drug;
prodrug
tetracycline[no description available]medium20
minocycline[no description available]medium10
piroxicam[no description available]medium20benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
meclocycline[no description available]medium10
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
acyclovir[no description available]medium302-aminopurines;
oxopurine		antimetabolite;
antiviral drug
rifampin[no description available]medium20cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium50benzodiazepine;
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
didanosine[no description available]medium20purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium202-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium10L-valyl esterantiviral drug
olanzapine[no description available]medium20benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
penciclovir[no description available]medium202-aminopurines;
propane-1,3-diols		antiviral drug
allopurinol[no description available]medium20nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
rifabutin[no description available]medium20
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
1-(3-chlorophenyl)piperazine[no description available]medium10monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
alprenolol[no description available]medium10secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
dan 2163[no description available]medium40aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anthralin[no description available]medium10anthracenesantipsoriatic
antipyrine[no description available]medium10pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
benzbromarone[no description available]medium401-benzofurans;
aromatic ketone		uricosuric drug
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisacodyl[no description available]medium10diarylmethane
bromopride[no description available]medium10benzamides
bronopol[no description available]medium10nitro compound
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide[no description available]medium10benzodiazepine
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cifenline[no description available]medium10diarylmethane
ciglitazone[no description available]medium10aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cilostazol[no description available]medium10lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cimetidine[no description available]medium10aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
desipramine[no description available]medium10dibenzoazepine;
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
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
domperidone[no description available]medium10benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
donepezil[no description available]medium10aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
ebastine[no description available]medium10organic molecular entity
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
4-biphenylylacetic acid[no description available]high10biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fleroxacin[no description available]medium10difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
lidocaine[no description available]medium30benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ketamine[no description available]medium40cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium10aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
nadolol[no description available]medium10tetralins
nalidixic acid[no description available]medium201,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefopam[no description available]medium10benzoxazocine;
tertiary amino compound
neostigmine[no description available]medium10quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
oxybutynin[no description available]medium10acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
pioglitazone[no description available]medium10aromatic 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
piracetam[no description available]medium10organonitrogen compound;
organooxygen compound
piribedil[no description available]medium10N-arylpiperazine
ono 1078[no description available]medium10chromones
pyranoprofen[no description available]medium10pyridochromene
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
procyclidine[no description available]medium10pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
promethazine[no description available]medium20phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]medium40dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfamethoxazole[no description available]medium10isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfanitran[no description available]medium10sulfonamide
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
gatifloxacin[no description available]medium10N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
tiapride[no description available]medium10benzamides
tilorone[no description available]medium10aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
nikethamide[no description available]medium10pyridinecarboxamide
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
thenoyltrifluoroacetone[no description available]medium10
undecylenic acid[no description available]medium10undecenoic acidantifungal drug;
plant metabolite
urapidil[no description available]medium10piperazines
pirinixic acid[no description available]medium10aryl sulfide;
organochlorine compound;
pyrimidines
zaleplon[no description available]medium10nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
carbon tetrachloride[no description available]medium20chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
tubocurarine[no description available]medium10bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
levodopa[no description available]medium10amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
colchicine[no description available]medium40alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
triamcinolone diacetate[no description available]medium10corticosteroid hormone
triamcinolone acetonide[no description available]medium1011beta-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
rotenone[no description available]medium10organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
galantamine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
procarbazine hydrochloride[no description available]medium10hydrochlorideantineoplastic agent
emetine[no description available]medium40isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
dimenhydrinate[no description available]medium10diarylmethane
1-naphthylisothiocyanate[no description available]medium10isothiocyanateinsecticide
hydroxychloroquine sulfate[no description available]medium10
ethambutol hydrochloride[no description available]medium10hydrochlorideantitubercular agent
antimycin a[no description available]medium10benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
pregnenolone carbonitrile[no description available]medium10aliphatic nitrile
metylperon[no description available]medium10aromatic ketone
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
metocurine[no description available]medium10isoquinolines
etidronate disodium[no description available]medium10organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
camptothecin[no description available]medium40delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
mafenide acetate[no description available]medium10carboxylic acid
diacerein[no description available]medium10anthraquinone
selegiline hydrochloride, (r)-isomer[no description available]medium10hydrochloride;
terminal acetylenic compound		antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pancuronium bromide[no description available]medium10bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
ornidazole[no description available]medium10C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
benzonidazole[no description available]medium10C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
indoramin[no description available]medium10tryptamines
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
feprazone[no description available]medium10organic molecular entity
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
lorcainide[no description available]medium10acetamides
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
atracurium besylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		muscle relaxant;
nicotinic antagonist
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
pergolide mesylate[no description available]medium10methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
talniflumate[no description available]medium10benzofurans
fenoldopam mesylate[no description available]medium10benzazepine
pefloxacin[no description available]medium10fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
flupirtine[no description available]medium40aminopyridine
enoximone[no description available]medium40aromatic ketone
stepronin[no description available]medium10N-acyl-amino acid
idazoxan[no description available]medium10benzodioxine;
imidazolines		alpha-adrenergic antagonist
remoxipride[no description available]medium10dimethoxybenzene
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
salmeterol xinafoate[no description available]medium10naphthoic acid
imiquimod[no description available]medium10imidazoquinolineantineoplastic agent;
interferon inducer
sertindole[no description available]medium10heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
aromasil[no description available]medium1017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
bromfenac[no description available]medium20aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gemcitabine hydrochloride[no description available]medium10hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
aripiprazole[no description available]medium40aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
atorvastatin calcium anhydrous[no description available]medium10organic calcium salt
duloxetine hydrochloride[no description available]medium10duloxetine hydrochlorideantidepressant
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
paroxetine hydrochloride[no description available]medium10hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
bupropion hydrochloride[no description available]medium10aromatic ketone
trazodone hydrochloride[no description available]medium10hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
doxazosin mesylate[no description available]medium10methanesulfonate saltgeroprotector
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
mevastatin[no description available]medium102-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
bupivacaine hydrochloride[no description available]medium10hydrochloride;
racemate		adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
plerixafor[no description available]medium10azacycloalkane;
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
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
ticlopidine hydrochloride[no description available]medium10hydrochloride
epirubicin hydrochloride[no description available]medium10
pazufloxacin[no description available]medium10quinolines
repaglinide[no description available]medium10piperidines
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
miconazole nitrate[no description available]medium10
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
brinzolamide[no description available]medium10sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone[no description available]medium103-oxo-Delta(4) steroid;
steroid lactone		aldosterone antagonist;
contraceptive drug;
progestin
artemether[no description available]medium10artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]medium101,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
loxapine succinate[no description available]medium10succinate saltgeroprotector
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
uroxatral[no description available]medium10hydrochloride
thiocolchicoside[no description available]medium10glycoside
doripenem[no description available]medium10carbapenems
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
tamiflu[no description available]medium10phosphate salt
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
s20098[no description available]medium10acetamides
ketorolac tromethamine[no description available]medium10organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
gliquidone[no description available]medium10isoquinolines
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
moxifloxacin hydrochloride[no description available]medium10hydrochlorideantibacterial drug
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
mizoribine[no description available]medium10imidazolesanticoronaviral agent
sr141716[no description available]medium40amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
racecadotril[no description available]medium10N-acyl-amino acid
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
plavix[no description available]medium10azaheterocycle sulfate salt;
organoammonium sulfate salt		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
valdecoxib[no description available]medium10isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
mk 0663[no description available]medium10bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
sulbactam[no description available]medium10penicillanic acids
olmesartan medoxomil[no description available]medium10biphenyls
abiraterone[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro[no description available]medium10
docetaxel anhydrous[no description available]medium20secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cox 189[no description available]high10amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
xamoterol[no description available]medium10morpholines
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
atropine[no description available]medium10
ramelteon[no description available]medium10indanes
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
bms204352[no description available]medium10
tbc-11251[no description available]medium10benzodioxoles
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
lacosamide[no description available]medium10N-acyl-amino acid
vincaleukoblastine[no description available]medium10acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
vincristine sulfate[no description available]medium10organic sulfate saltantineoplastic agent;
geroprotector
wortmannin[no description available]medium10acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
perindopril erbumine[no description available]medium10addition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitol[no description available]medium10piperidines
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
pemirolast potassium salt[no description available]medium10
eplerenone[no description available]medium103-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
ao 128[no description available]medium10organic molecular entity
loteprednol etabonate[no description available]medium1011beta-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]medium1011beta-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
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
decitabine[no description available]medium102'-deoxyribonucleoside
valrubicin[no description available]medium10anthracycline;
trifluoroacetamide
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
rubitecan[no description available]medium10C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
arginine vasopressin[no description available]medium10vasopressincardiovascular drug;
hematologic agent;
mitogen
trilostane[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate[no description available]medium10acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
levosulpiride[no description available]medium10sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
cinnarizine[no description available]medium10diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
epalrestat[no description available]medium10monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor
drotaverin[no description available]medium10isoquinolines
fusidic acid[no description available]medium1011alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
valinomycin[no description available]medium10cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
hmr 3647[no description available]medium10
latoconazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug
maraviroc[no description available]medium10tropane alkaloid
toremifene citrate[no description available]medium10stilbenoidanticoronaviral agent
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
gestodene[no description available]medium10steroidestrogen
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
azilect[no description available]medium10
dasatinib[no description available]medium501,3-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
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tolcapone[no description available]medium202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
vitamin d 2[no description available]medium10hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
oxymetholone[no description available]medium10
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
brompheniramine maleate[no description available]medium10maleate saltanti-allergic agent
dexchlorpheniramine maleate[no description available]medium10organic molecular entity
mycophenolate mofetil[no description available]medium40carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
l 660,711[no description available]medium10quinolines
travoprost[no description available]medium10(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
tranilast[no description available]medium50amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
imipenem[no description available]medium10carbapenems
ketotifen fumarate[no description available]medium10organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
dinoprost tromethamine[no description available]medium10organic molecular entity
rosuvastatin calcium[no description available]medium10N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt		anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
terbinafine hydrochloride[no description available]medium10allylamine antifungal drug;
hydrochloride		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
demycarosylturimycin h[no description available]medium10
acipimox[no description available]medium10pyrazinecarboxylic acid
atosiban[no description available]medium10oligopeptide
bimatoprost[no description available]medium10monocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
nateglinide[no description available]medium10phenylalanine derivative
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
enalapril maleate[no description available]medium10maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
tenofovir disoproxil fumarate[no description available]medium10fumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
dexbrompheniramine maleate[no description available]medium10brompheniramine maleateanti-allergic agent;
H1-receptor antagonist
rifaximin[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
everolimus[no description available]medium10cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
fluphenazine[no description available]medium10
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
bisoprolol, fumarate (1:1) salt[no description available]medium10
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
etoposide phosphate[no description available]medium10furonaphthodioxole
ciclesonide[no description available]medium10organic molecular entity
temsirolimus[no description available]medium10macrolide lactam
dutasteride[no description available]medium10(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna[no description available]medium10fumarate saltantihypertensive agent
vildagliptin[no description available]medium10amino acid amide
sgd 301-76[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		antiinfective agent
fluvoxamine maleate[no description available]medium10(trifluoromethyl)benzenes
thioacetazone[no description available]medium10
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
gemifloxacin mesylate[no description available]medium10methanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
rivaroxaban[no description available]medium10aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272[no description available]medium20nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
tofacitinib[no description available]medium10N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
amg 009[no description available]medium10
cefotaxime sodium[no description available]medium10organic sodium salt
losartan potassium[no description available]medium10
dactolisib[no description available]medium10imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
rabeprazole sodium[no description available]medium20organic sodium salt
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
somatostatin[no description available]medium10heterodetic cyclic peptide;
peptide hormone
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
warfarin sodium[no description available]medium10
pravastatin sodium[no description available]medium10organic sodium salt;
statin (semi-synthetic)		anticholesteremic drug
alendronate sodium[no description available]medium10
sl 80.0750[no description available]medium10
clavulanate potassium[no description available]medium10potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium[no description available]medium10organic sodium salt
oxacillin sodium[no description available]medium10organic sodium salt
cefazolin sodium[no description available]medium10organic sodium salt
azlocillin sodium[no description available]medium10organic sodium salt
roquinimex[no description available]medium10aromatic amide
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl 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
isoxicam[no description available]medium10benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
minocycline hydrochloride[no description available]medium10
tigecycline[no description available]medium10
lornoxicam[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
dacarbazine[no description available]medium10dacarbazine
valtrex[no description available]medium10organic molecular entity
raltitrexed[no description available]medium10N-acyl-amino acid
citrovorum factor[no description available]medium10tetrahydrofolic acid
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
sildenafil citrate[no description available]medium10citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
tegaserod maleate[no description available]medium10maleate saltserotonergic agonist
cromolyn[no description available]medium20chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker
kynurenic acid[no description available]medium10monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
pamoic acid[no description available]medium10dicarboxylic acid
coumarin-3-carboxylic acid[no description available]medium10coumarins
3-cyanocoumarin[no description available]medium10
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
zaprinast[no description available]medium10triazolopyrimidines
b 844-39[no description available]medium10diarylmethane
pk 11195[no description available]medium30aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
jtv519[no description available]medium30
bisindolylmaleimide i[no description available]medium30
bufexamac[no description available]medium30aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cadralazine[no description available]medium30organic molecular entity
chlorcyclizine[no description available]medium30diarylmethane
ci 994[no description available]medium30acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine[no description available]medium20
fenbendazole[no description available]medium30aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
go 6976[no description available]medium30indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor
homochlorocyclizine[no description available]medium30diarylmethane
ifenprodil[no description available]medium40piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone[no description available]medium30naphthalenes
mephenesin[no description available]medium30aromatic ether;
glycerol ether
niclosamide[no description available]medium30benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
oxibendazole[no description available]medium30benzimidazoles;
carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine[no description available]medium30
pimobendan[no description available]medium30benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
ag 1879[no description available]medium30aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one[no description available]medium20indoles
ro 31-8220[no description available]medium30imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole[no description available]medium30indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine[no description available]medium20stilbenoid
trifluperidol[no description available]medium10aromatic ketone
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium30aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
zotepine[no description available]medium30dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
benziodarone[no description available]medium30aromatic ketone
trehalose[no description available]medium30trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
triclocarban[no description available]medium30dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
4-tert-octylphenol[no description available]medium30alkylbenzene
ethamivan[no description available]medium30methoxybenzenes;
phenols
methysergide[no description available]medium30ergoline alkaloid
etonitazene[no description available]medium30
clothiapine[no description available]medium30dibenzothiazepine
benperidol[no description available]medium30aromatic ketone
7-hydroxychlorpromazine[no description available]medium30phenothiazines
thenalidine[no description available]medium30dialkylarylamine;
tertiary amino compound
dexchlorpheniramine[no description available]medium30chlorphenamine
dv 1006[no description available]medium30
climbazole[no description available]medium30aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
triadimenol[no description available]medium30aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
amonafide[no description available]medium30isoquinolines
chaetochromin[no description available]medium30
indocate[no description available]medium30
N(4)-acetylsulfathiazole[no description available]medium301,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite
cyclizine hydrochloride[no description available]medium20
2,3-trimethylene-4-quinazolone[no description available]medium30quinazolines
1,3-dimethyluric acid[no description available]medium30oxopurinemetabolite
danofloxacin[no description available]medium30quinolines
nitrefazole[no description available]medium30imidazoles
methotrimeprazine[no description available]medium30phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
honokiol[no description available]medium30biphenyls
9-methoxyellipticine[no description available]medium30
3-aminophenoxazone[no description available]medium30phenoxazine
3-deazaneplanocin[no description available]medium30
tryptanthrine[no description available]medium30alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
2-chlorodiazepam[no description available]medium30
Polycartine B[no description available]medium30phenazines
aminoquinuride dihydrochloride[no description available]medium30
thioproperazine mesylate[no description available]medium30phenothiazines
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium306-isopentenylaminopurinecytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide[no description available]medium30sulfonamide
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide[no description available]medium20aromatic ketone
fingolimod[no description available]medium30aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
tesmilifene[no description available]medium30diarylmethane
sr 27897[no description available]medium30indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium30leucine derivative
norketamine[no description available]medium30organochlorine compound
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide[no description available]medium30
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide[no description available]medium30phenylindole
l 741626[no description available]medium30piperidines
dx 8951[no description available]medium30pyranoindolizinoquinoline
tipifarnib[no description available]medium30imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202[no description available]medium302,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe[no description available]medium30monoterpenoid
l 163191[no description available]medium30
dizocilpine[no description available]medium30secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
s-benzylcysteine[no description available]medium30S-aryl-L-cysteine zwitterion
chelidonine[no description available]medium30alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
lapatinib[no description available]medium30furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
roxindole[no description available]medium30indolesalpha-adrenergic antagonist;
serotonergic drug
conidendrin[no description available]medium30
Porfiromycine[no description available]medium30mitomycin
nsc 95397[no description available]medium301,4-naphthoquinones
4-methyl-2-quinazolinamine[no description available]medium30
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium30
2,5-bis(5-hydroxymethyl-2-thienyl)furan[no description available]medium30thiophenes
Destruxin B[no description available]medium30cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone[no description available]medium30alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
2'-c-methylcytidine[no description available]medium30
jp-1302[no description available]medium30
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one[no description available]medium30benzodiazepine
tenatoprazole[no description available]medium30imidazopyridine
s 1033[no description available]medium30(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
benidipine hydrochloride[no description available]medium20
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one[no description available]medium30quinazolines
chlorprothixene[no description available]medium30chlorprothixene
jrf 12[no description available]medium30
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester[no description available]medium30methoxybenzenes;
substituted aniline
3-hydroxypyridine, sodium salt[no description available]medium30
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide[no description available]medium30naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide[no description available]medium30
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline[no description available]medium30aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide[no description available]medium30piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide[no description available]medium30acetamides;
anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide[no description available]medium30aromatic amide;
thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone[no description available]medium30dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide[no description available]medium30aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]medium30aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione[no description available]medium30maleimides
Src Inhibitor-1[no description available]medium30aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one[no description available]medium30dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide[no description available]medium30quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine[no description available]medium30pyrroles
bi-78d3[no description available]medium30aryl sulfide
kartogenin[no description available]medium30
vx-745[no description available]medium30aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
zd 6474[no description available]medium30aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
nih-12848[no description available]medium30
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide[no description available]medium30quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone[no description available]medium30benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile[no description available]medium30imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one[no description available]medium30aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester[no description available]medium30oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester[no description available]medium30organonitrogen compound;
organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide[no description available]medium30quinolines
LSM-1924[no description available]medium30organic heterotricyclic compound;
organooxygen compound
ferrostatin-1[no description available]medium30ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine[no description available]medium30C-nitro compound
ncgc00099374[no description available]medium30
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide[no description available]medium30benzamides
luteolin[no description available]medium303'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
kaempferol[no description available]medium307-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
genistein[no description available]medium307-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
bruceantin[no description available]medium30triterpenoid
chrysin[no description available]medium307-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
daidzein[no description available]medium307-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
neticonazole[no description available]medium30aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine[no description available]medium30endocannabinoid;
N-acylethanolamine 22:6
n-oleoylethanolamine[no description available]medium30endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
alpha-zearalenol[no description available]medium30macrolide
su 9516[no description available]medium30
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine[no description available]medium30triazolopyrimidines
sb 277011[no description available]medium30
sb 223412[no description available]medium30
sr 59230a[no description available]medium30tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide[no description available]medium30pyrimidines
kn 62[no description available]medium30piperazines
MeJA[no description available]medium30Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-[no description available]medium30
pd 161570[no description available]medium30
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
palbociclib[no description available]medium30aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621[no description available]medium30sulfonamide
virginiamycin factor s1[no description available]medium30cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite
xib 4035[no description available]medium30
belotecan[no description available]medium30pyranoindolizinoquinoline
norgestimate[no description available]medium30ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
b 43[no description available]medium30aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine[no description available]medium30
methiazole[no description available]medium30benzimidazoles;
carbamate ester
sb 218795[no description available]medium30quinolines
bvt.948[no description available]medium30
a 38503[no description available]medium30
parthenolide[no description available]medium20sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
krn 633[no description available]medium30
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid[no description available]medium30organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gw 501516[no description available]medium301,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
dolastatin 10[no description available]medium301,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent
spc-839[no description available]medium30
midostaurin[no description available]medium30benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
nu 7026[no description available]medium30organic heterotricyclic compound;
organooxygen compound
osi 930[no description available]medium30aromatic amide
ticagrelor[no description available]medium30aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor
l 692585[no description available]medium30peptide
pi103[no description available]medium30aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
nnc 26-9100[no description available]medium30aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine[no description available]medium30
tivozanib[no description available]medium30aromatic ether
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide[no description available]medium30
tae226[no description available]medium30morpholines
gw0742[no description available]medium30monocarboxylic acid
u 18666a[no description available]medium30hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor
sb 525334[no description available]medium30quinoxaline derivative
bx795[no description available]medium30ureas
azd 6244[no description available]medium30benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea[no description available]medium30
bay 61-3606[no description available]medium30pyrimidines
sd-208[no description available]medium30
crenolanib[no description available]medium30aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466[no description available]medium30
cc 401[no description available]medium30pyrazoles;
ring assembly
PB28[no description available]medium30aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
arterolane[no description available]medium30
cariprazine[no description available]medium30
krp-203[no description available]medium30
regorafenib[no description available]medium30(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
at 7867[no description available]medium30monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester[no description available]medium30pyrroloquinoline
ptc 124[no description available]medium40oxadiazole;
ring assembly
bi 2536[no description available]medium30
azd 1152[no description available]medium30anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
carfilzomib[no description available]medium30epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
idelalisib[no description available]medium30aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib[no description available]medium30pyridinecarboxamide
pf-562,271[no description available]medium30indoles
gliocladin c[no description available]medium30
sb 706504[no description available]medium30
ku-0060648[no description available]medium30dibenzothiophenes
bgt226[no description available]medium30aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-desmethyldanofloxacin[no description available]medium30
CDN1163[no description available]medium30aromatic ether;
quinolines;
secondary carboxamide		SERCA activator
gsk 269962a[no description available]medium30
pha 848125[no description available]medium30
nvp-bhg712[no description available]medium30benzamides
pf 04217903[no description available]medium30quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one[no description available]medium30aromatic ketone
ph 797804[no description available]medium30aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
srt1720[no description available]medium30
purfalcamine[no description available]medium30
bms 754807[no description available]medium30pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib[no description available]medium30(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor
quizartinib[no description available]medium30benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
PP121[no description available]medium30aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
navitoclax[no description available]medium30aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
gsk 650394[no description available]medium30phenylpyridine
dcc-2036[no description available]medium30organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor
cabozantinib[no description available]medium30aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
TAK-580[no description available]medium301,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one[no description available]medium30chromones
pf 3758309[no description available]medium30organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
baricitinib[no description available]medium30azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine[no description available]medium30quinazolines
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone[no description available]medium30organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide[no description available]medium30hydroxyquinoline
p505-15[no description available]medium30
mrt67307[no description available]medium30aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide[no description available]medium30piperazines
ribociclib[no description available]medium30
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone[no description available]medium30aromatic ketone;
thienopyrimidine
pha 793887[no description available]medium30piperidinecarboxamide
ml228 probe[no description available]medium301,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator
pf-03882845[no description available]medium30
jq1 compound[no description available]medium30carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
pf-04620110[no description available]medium30
gsk525762a[no description available]medium30benzodiazepine
torin 1[no description available]medium30N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor
abt-199[no description available]medium30aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea[no description available]medium30ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide[no description available]medium30(trifluoromethyl)benzenes
ncgc00242364[no description available]medium30quinazolines
gsk1210151a[no description available]medium30imidazoquinoline
hs-173[no description available]medium30
sr1664[no description available]medium30indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide[no description available]medium30
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide[no description available]medium20benzamides;
N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide[no description available]medium20aminoquinoline
cudc-907[no description available]medium30
methacycline monohydrochloride[no description available]medium20
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid[no description available]medium30quinolines
agi-5198[no description available]medium30
cep-32496[no description available]medium30
epz004777[no description available]medium30N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid[no description available]medium30organonitrogen heterocyclic compound
entecavir[no description available]medium30benzamides;
N-acylpiperidine
gkt137831[no description available]medium30
vx-509[no description available]medium30
vx-970[no description available]medium30sulfonamide
gs-9973[no description available]medium30
amg 925[no description available]medium30
gne-618[no description available]medium30
g007-lk[no description available]medium30
volitinib[no description available]medium30
ML355[no description available]medium30benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
acp-196[no description available]medium30aromatic 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
gsk343[no description available]medium30aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780[no description available]medium30
khs101[no description available]medium30
cb-839[no description available]medium30
gsk-j4[no description available]medium30organonitrogen heterocyclic compound
pf-06424439[no description available]medium30
etp-46464[no description available]medium30
onc201[no description available]medium30
kai407[no description available]medium30
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine[no description available]medium30
enasidenib[no description available]medium301,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429[no description available]medium30
lly-507[no description available]medium30
at 9283[no description available]medium30
hypoxanthine[no description available]medium30nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
1-hydroxyphenazine[no description available]medium30phenazines
ro 24-7429[no description available]medium30benzodiazepine
nintedanib[no description available]medium30
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide[no description available]medium30catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296[no description available]medium30aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
rvx 208[no description available]medium30
bmn 673[no description available]medium30
cyclizine[no description available]medium10N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
zpck[no description available]medium20
indatraline[no description available]medium20indanes
salvinorin a[no description available]medium10organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
niguldipine hydrochloride[no description available]medium20
bardoxolone methyl[no description available]medium10cyclohexenones
trichostatin a[no description available]medium10antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
sitafloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
benidipine[no description available]medium10
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide[no description available]medium20indoles
rabeprazole(1-)[no description available]medium20organic nitrogen anion
cyclosporine[no description available]medium10
fenoterol[no description available]medium20hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
gw-5074[no description available]medium10
fk 866[no description available]medium10benzamides;
N-acylpiperidine
valnemulin[no description available]medium20
degrasyn[no description available]medium20
azd 1152-hqpa[no description available]medium20anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]medium20benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
gsk 2334470[no description available]medium10indazoles
birinapant[no description available]medium10dipeptide
methacycline[no description available]medium10
bithionol[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
bromhexine[no description available]medium10organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
buflomedil[no description available]medium10aromatic ketone
carbinoxamine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
cetraxate[no description available]medium10benzenes;
monocarboxylic acid
clofoctol[no description available]medium10diarylmethane
dichlorophen[no description available]medium10bridged diphenyl fungicide;
diarylmethane
irsogladine[no description available]medium10dichlorobenzene
moxisylyte[no description available]medium10monoterpenoid
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
risedronic acid[no description available]medium10pyridines
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
triclabendazole[no description available]medium10aromatic ether
fenofibric acid[no description available]medium10aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
etofibrate[no description available]medium10monocarboxylic acid
nitisinone[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
tafamidis[no description available]medium101,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug
crizotinib[no description available]medium103-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alpha-aminopyridine[no description available]medium11115
platinum[no description available]medium10elemental platinum;
nickel group element atom;
platinum group metal atom
cytochrome c-t[no description available]medium10
4-phenylbutylamine[no description available]medium10benzenes;
phenylalkylamine;
primary amino compound
cyclic guanosine monophosphate-adenosine monophosphate[no description available]medium10adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide
serine[no description available]medium10L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dimethyl sulfoxide[no description available]medium10sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
paraquat[no description available]medium10organic cationgeroprotector;
herbicide
palmitic acid[no description available]medium10long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
ibudilast[no description available]medium10pyrazolopyridine
epinastine[no description available]medium10benzazepine;
guanidines		anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
methylene blue[no description available]medium10organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
thalidomide[no description available]medium20phthalimides;
piperidones
oxadiazoles[no description available]medium10
deuterium[no description available]medium10dihydrogen
cl 316243[no description available]medium10
ro13-9904[no description available]medium10
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
nitrites[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
sodium dodecyl sulfate[no description available]medium10organic sodium saltdetergent;
protein denaturant
epidermal growth factor[no description available]medium20
vitamin b 12[no description available]medium10
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one[no description available]medium1021-hydroxy steroid
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester[no description available]medium10
egtazic acid[no description available]medium10diether;
tertiary amino compound;
tetracarboxylic acid		chelator
olopatadine hydrochloride[no description available]medium20dibenzooxazepine
ketotifen[no description available]medium40cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
ovalbumin[no description available]medium20
repirinast[no description available]medium10organic molecular entity
pemirolast[no description available]medium10pyridopyrimidine
dinitrobenzenes[no description available]medium10
carbostyril[no description available]medium10monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
pyrimidinones[no description available]medium10
guanine[no description available]medium102-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
deoxyglucose[no description available]medium10
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
cysteine[no description available]medium10cysteiniumfundamental metabolite
arachidonic acid[no description available]medium10icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor
5,8,11,14-eicosatetraynoic acid[no description available]medium20long-chain fatty acid
sepharose[no description available]medium10
flutropium bromide[no description available]medium10
methacholine chloride[no description available]medium10quaternary ammonium salt
pyrilamine[no description available]medium10aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
histamine[no description available]medium60aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
hexamethonium[no description available]medium10quaternary ammonium salt
nz 107[no description available]medium10
p-methoxy-n-methylphenethylamine[no description available]medium20aromatic ether;
secondary amino compound		metabolite
calcimycin[no description available]medium20benzoxazole
piperidines[no description available]medium10
dithiothreitol[no description available]medium101,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
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
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
aa 861[no description available]medium101,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
mequitazine[no description available]medium10phenothiazines
5-hydroxy-6,8,11,14-eicosatetraenoic acid[no description available]medium10HETEhuman metabolite;
mouse metabolite
thromboxane b2[no description available]medium10thromboxanes Bhuman metabolite;
mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid[no description available]medium10
cyproheptadine[no description available]low00piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
diphenhydramine[no description available]low00ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
doxylamine[no description available]low00pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
emedastine[no description available]low00benzimidazolesanti-allergic agent;
antipruritic drug;
H1-receptor antagonist
methapyrilene[no description available]low00ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
oxatomide[no description available]low00benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
promethazine hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
brompheniramine[no description available]low00organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
methapyrilene hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
diphenhydramine hydrochloride[no description available]low00hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
dexbrompheniramine[no description available]low00brompheniramineanti-allergic agent;
H1-receptor antagonist
azatadine[no description available]low00benzocycloheptapyridine;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
clemastine[no description available]low00monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
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
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
hydrangenol[no description available]low00dihydroisocoumarins;
phenols		anti-allergic agent;
plant metabolite
glycyrrhetyl 3-monoglucuronide[no description available]low00beta-D-glucosiduronic acid;
enone;
monosaccharide derivative;
oxo dicarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin		anti-allergic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human xenobiotic metabolite;
plant metabolite;
sweetening agent
secoxyloganin[no description available]low00beta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside		anti-allergic agent;
antioxidant;
plant metabolite
tau 284[no description available]low00organosulfonate saltanti-allergic agent;
H1-receptor antagonist
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
davidigenin[no description available]low00dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite
rhapontin[no description available]low00rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite
naringenin chalcone[no description available]low00chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite
clemastine fumarate[no description available]low00fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
petasin[no description available]low00alicyclic ketone;
enoate ester;
enone;
sesquiterpenoid		anti-allergic agent;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator;
plant metabolite;
vasodilator agent
myricitrin[no description available]low00alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone		anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
rottlerin[no description available]low00aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
carbinoxamine maleate[no description available]low00maleate saltanti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
sappanchalcone[no description available]low00catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
ginsenoside m1[no description available]low0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite
fluticasone furoate[no description available]low0011beta-hydroxy steroid;
2-furoate ester;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
steroid ester;
thioester		anti-allergic agent;
anti-asthmatic drug;
prodrug
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
tixocortol pivalate[no description available]low00corticosteroid;
pivalate ester;
tertiary alpha-hydroxy ketone;
thioester		allergen;
anti-allergic agent;
glucocorticoid receptor agonist
alcaftadine[no description available]low00aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound		anti-allergic agent;
H1-receptor antagonist
(S)-carbinoxamine maleate[no description available]low00carbinoxamine maleateanti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
succinic acid[no description available]low00alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
famotidine[no description available]low001,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
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
pirenzepine[no description available]low00pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
proglumide[no description available]low00benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
rabeprazole[no description available]low00benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
tridihexethyl[no description available]low00quaternary ammonium ion;
tertiary alcohol		anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
oxmetidine[no description available]low00benzodioxoles;
imidazoles;
pyrimidone		anti-ulcer drug;
H2-receptor antagonist
azuletil[no description available]low00arenesulfonic acid;
azulenes		anti-ulcer drug;
thromboxane A2 antagonist
alpha-methylene gamma-butyrolactone[no description available]low00butan-4-olideanti-ulcer drug;
gastrointestinal drug
tiquizium bromide[no description available]low00organic bromide salt;
quaternary ammonium salt		anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
ranitidine[no description available]low00C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
eupatilin[no description available]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
plaunotol[no description available]low00diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary
sofalcone[no description available]medium00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
pibutidine hydrochloride[no description available]low00hydrochlorideanti-ulcer drug;
H2-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
16,16-dimethylprostaglandin e2[no description available]medium00cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
s 1743[no description available]low00magnesium saltanti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]low00alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite
pantoprazole sodium[no description available]low00organic sodium saltanti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
octotropine methylbromide[no description available]low00organic bromide salt;
quaternary ammonium salt		anti-ulcer drug;
muscarinic antagonist;
parasympatholytic
azuletil sodium[no description available]low00organic sodium salt;
organosulfonate salt		anti-ulcer drug;
thromboxane A2 antagonist
enprofylline[no description available]low00oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
acemetacin[no description available]medium00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
amfenac[no description available]low00amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ampyrone[no description available]low00primary amino compound;
pyrazolone		antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
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
ampiroxicam[no description available]low00acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide		analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
acetovanillone[no description available]low00acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bendazac[no description available]medium00indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
fenbufen[no description available]low004-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
fenoprofen[no description available]medium00monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flufenamic acid[no description available]low00aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
glafenine[no description available]low00aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
indoprofen[no description available]medium00gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
propyphenazone[no description available]low00pyrazolonenon-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
kebuzone[no description available]low00methyl ketone;
pyrazolidines		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
loxoprofen[no description available]medium00cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
metiazinic acid[no description available]low00phenothiazinesdrug allergen;
non-steroidal anti-inflammatory drug
oxyphenbutazone[no description available]low00phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
phenylbutazone[no description available]low00pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
proglumetacin[no description available]low00aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
salicylsalicylic acid[no description available]low00benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
suxibuzone[no description available]medium00hemisuccinate;
monocarboxylic acid;
pyrazolidines		antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug
tiaprofenic acid[no description available]medium00aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
tolmetin[no description available]medium00aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
aminopyrine[no description available]low00pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
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
2-methoxybenzoic acid[no description available]low00methoxybenzoic acidflavouring agent;
non-steroidal anti-inflammatory drug
benzydamine[no description available]low00aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
ibufenac[no description available]medium00monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
mofebutazone[no description available]low00pyrazolidinesnon-narcotic analgesic;
non-steroidal anti-inflammatory drug
acetosyringone[no description available]low00acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bumadizone[no description available]medium00carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug
apazone[no description available]low00benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
clonixin[no description available]low00aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
oxamethacin[no description available]low00aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flunixin[no description available]low00aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flunixin meglumine[no description available]low00organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dexibuprofen[no description available]low00ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
benoxaprofen[no description available]medium001,3-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
pirfenidone[no description available]low00pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fendosal[no description available]low00benzoindole;
monohydroxybenzoic acid;
pyrroles		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tepoxalin[no description available]low00aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fenoprofen calcium[no description available]low00hydrateantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
baicalin[no description available]low00dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
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
ibuproxam[no description available]low00hydroxamic acidiron chelator;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lonazolac[no description available]medium00monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
miroprofen[no description available]medium00imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
flunoxaprofen[no description available]medium001,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
corilagin[no description available]low00ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug
eletriptan[no description available]low00indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
difenpiramide[no description available]low00biphenyls;
monocarboxylic acid amide;
pyridines		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
nitroflurbiprofen[no description available]low00biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent
parecoxib[no description available]low00isoxazoles;
N-sulfonylcarboxamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
almotriptan[no description available]low00indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
garenoxacin[no description available]low00aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug
nepafenac[no description available]low00monocarboxylic acid amidecyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
firocoxib[no description available]low00butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cimicoxib[no description available]low00aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicin[no description available]low00aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
dexketoprofen[no description available]medium00benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
naproxol[no description available]low00aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
deracoxib[no description available]low00organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lysine clonixinate[no description available]low00organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
rosmarinic acid[no description available]medium00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
sulindac sulfide[no description available]medium00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
bay 11-7082[no description available]low00nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
robenacoxib[no description available]medium00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide[no description available]low00organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate[no description available]low00carboxylic ester;
methoxynaphthalene;
nitrate ester		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
apremilast[no description available]low00aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
sodium bromfenac[no description available]low00hydratenon-narcotic analgesic;
non-steroidal anti-inflammatory drug
tofisopam[no description available]low00organic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
tolmetin sodium[no description available]low00hydrate;
organic sodium salt		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
naproxen sodium[no description available]low00organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
an2728[no description available]low00aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid[no description available]low00organofluorine compoundnon-steroidal anti-inflammatory drug
teriflunomide[no description available]low00(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor
traxanox[no description available]low00pyridochromene
y 23023[no description available]low00pyridochromene
6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-one[no description available]low00pyridochromene
4-[1-oxo-2-(1-piperidinyl)ethyl]-9-phenylmethoxy-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one[no description available]low00pyridochromene
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one[no description available]low00pyridochromene
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide[no description available]low00pyridochromene
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-2-phenylacetamide[no description available]low00pyridochromene
4-methoxy-N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)benzamide[no description available]low00pyridochromene
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one[no description available]low00pyridochromene
dihydro-3-coumaric acid[no description available]low00monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
2-(3-pyridine)acetic acid[no description available]low00monocarboxylic acid;
pyridines		human xenobiotic metabolite
gamma-aminobutyric acid[no description available]low00amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
acetic acid[no description available]low00monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
formic acid[no description available]low00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
aminooxyacetic acid[no description available]low00amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
gamma-guanidinobutyric acid[no description available]low00guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1-aminocyclopropane-1-carboxylic acid[no description available]low00amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite
phosphonoacetic acid[no description available]low00monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
5,6-dihydroorotate[no description available]low00monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
indoleacetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
phenylacetic acid[no description available]low00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
phosphoenolpyruvate[no description available]low00carboxyalkyl phosphate;
monocarboxylic acid		fundamental metabolite
4-(2,4-dichlorophenoxy)butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin
homovanillic acid[no description available]low00guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
alpha-methyl-m-tyrosine[no description available]low00monocarboxylic acid
metrizoate[no description available]low00monocarboxylic acidradioopaque medium
carbidopa[no description available]low00benzenes;
monocarboxylic acid
chrysanthemic acid[no description available]low00cyclopropanes;
monocarboxylic acid		plant metabolite
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
ici 204448[no description available]low00monocarboxylic acid
iopanoic acid[no description available]low00monocarboxylic acid
meclofenoxate[no description available]low00monocarboxylic acid
sarkolysin[no description available]low00monocarboxylic acid
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]low00benzenes;
monocarboxylic acid
oxonic acid[no description available]low001,3,5-triazines;
monocarboxylic acid
oxyphencyclimine[no description available]low00monocarboxylic acid
4-phenylbutyric acid[no description available]low00monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pipemidic acid[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
SU5402[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		fibroblast growth factor receptor antagonist
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
tyropanoate[no description available]low00benzenes;
monocarboxylic acid
trichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
dichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
bis(p-chlorophenyl)acetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
mecoprop[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes
fenoprop[no description available]low00monocarboxylic acidphenoxy herbicide
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
iophenoxic acid[no description available]low00benzenes;
monocarboxylic acid
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
cyclohexanecarboxylic acid[no description available]low00monocarboxylic acid
diphenylacetic acid[no description available]low00monocarboxylic acidxenobiotic metabolite
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
amprotropine[no description available]low00monocarboxylic acid
cyanoacetic acid[no description available]low00monocarboxylic acid
difluoroacetic acid[no description available]low00monocarboxylic acid;
organofluorine compound
5-methylpyrazole-3-carboxylic acid[no description available]low00monocarboxylic acid;
pyrazoles		metabolite
hydantoic acid[no description available]low00monocarboxylic acid;
N-acylglycine;
ureas		rat metabolite;
xenobiotic metabolite
abietic acid[no description available]low00abietane diterpenoid;
monocarboxylic acid		plant metabolite
3,5-dibromotyrosine[no description available]low00monocarboxylic acid
3-aminobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
4-carboxybenzaladehyde[no description available]low00benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
dibromoacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
3-hydroxypicolinic acid[no description available]low00monocarboxylic acid;
monohydroxypyridine		MALDI matrix material
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
cyclopropanecarboxylic acid[no description available]low00cyclopropanes;
monocarboxylic acid
(4-tert-Butyl-phenoxy)-acetic acid[no description available]low00monocarboxylic acid
3-methoxyphenylacetic acid[no description available]low00monocarboxylic acid
4-chlorophenylacetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite
4-hydroxyphenoxyacetic acid[no description available]low00monocarboxylic acid
5-phenylvaleric acid[no description available]low00benzenes;
monocarboxylic acid
2-(4-chlorophenoxy)propionic acid[no description available]low00monocarboxylic acidphenoxy herbicide
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
nafenopin[no description available]low00aromatic ether;
monocarboxylic acid
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
ochratoxin b[no description available]low00isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite
cyclohexaneacetic acid[no description available]low00monocarboxylic acid
glucoheptonate[no description available]low00carbohydrate acid;
monocarboxylic acid		metabolite
6-methoxy-2-naphthylacetic acid[no description available]low00methoxynaphthalene;
monocarboxylic acid		drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
7-aminodesacetoxycephalosporanic acid[no description available]low00cephalosporin;
monocarboxylic acid
butyl(3-carboxypropyl)nitrosamine[no description available]low00monocarboxylic acid;
nitrosamine		carcinogenic agent
carbidopa[no description available]low00catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
ticrynafen[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
acifluorfen[no description available]low00aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
imazaquin[no description available]low00imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid
difloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite
brequinar[no description available]low00biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
fradafiban[no description available]low00carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones		platelet glycoprotein-IIb/IIIa receptor antagonist
phenylacetylglycine[no description available]low00monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
tianeptine[no description available]low00dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
binifibrate[no description available]low00monocarboxylic acid
5-imidazolepropionic acid[no description available]low00imidazoles;
monocarboxylic acid
gr 117289[no description available]low001-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent
alborixin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic		ionophore
madecassic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
monotropein[no description available]low00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
3-(3,4-dimethoxyphenyl)propanoic acid[no description available]low00dimethoxybenzene;
monocarboxylic acid
n-methylhippuric acid[no description available]low00monocarboxylic acid;
N-acylglycine		EC 1.1.1.21 (aldehyde reductase) inhibitor
methylimidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
6-carboxyfluorescein[no description available]low00monocarboxylic acid
4-(2-thienyl)butyric acid[no description available]low00monocarboxylic acid;
thiophenes		hapten
3-(trimethylsilyl)propionic acid[no description available]low00monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid[no description available]low00benzenes;
monocarboxylic acid
ritalinic acid[no description available]low00monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite
indole-1-acetic acid[no description available]low00indolyl carboxylic acid;
monocarboxylic acid
(1-hydroxycyclopentyl)phenylacetic acid[no description available]low00monocarboxylic acid;
tertiary alcohol
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
quinclorac[no description available]low00monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid		agrochemical;
herbicide;
synthetic auxin
gypsogenin[no description available]low00aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
beta-hydroxyphenylpropionic acid[no description available]low003-hydroxy carboxylic acid;
monocarboxylic acid
salicylamide-2-acetic acid[no description available]low00monocarboxylic acid
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
2,6-dichloroisonicotinic acid[no description available]low00monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
1-phenazinecarboxylic acid[no description available]low00aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid[no description available]low00imidothioate;
monocarboxylic acid
alpha-methylphenylalanine[no description available]low00benzenes;
monocarboxylic acid
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
asiatic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
bw 245c[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol
piscidic acid[no description available]low00benzenes;
monocarboxylic acid
mitiglinide[no description available]low00benzenes;
monocarboxylic acid
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
4-carboxyfluorescein[no description available]low00monocarboxylic acidfluorochrome
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
ectoine[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion		osmolyte
chrysobactin[no description available]low00catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound		bacterial metabolite;
siderophore
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
agn 190299[no description available]low00monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent
3-bromotyrosine[no description available]low00monocarboxylic acid
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
clofibride[no description available]low00monocarboxylic acid
carbazic acid[no description available]low00monocarboxylic acid;
one-carbon compound
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
3,5-dihydroxyphenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
fukiic acid[no description available]low00benzenes;
monocarboxylic acid
delta-1-piperidine-6-carboxylic acid[no description available]low00monocarboxylic acid;
tetrahydropyridine		mammalian metabolite
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
3-hydroxy-5-cholestenoic acid[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite
enrasentan[no description available]low00aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist
quizalofop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative
9-mercaptodethiobiotin[no description available]low00imidazolidinone;
monocarboxylic acid;
thiol;
ureas		Escherichia coli metabolite
proclavaminic acid[no description available]low00amino acid zwitterion;
azetidines;
monocarboxylic acid
orantinib[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
sandaracopimaric acid[no description available]low00monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite
7-methoxycoumarin-4-acetic acid[no description available]low00monocarboxylic acidfluorochrome
monensin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore
isopimaric acid[no description available]low00carbotricyclic compound;
diterpenoid;
monocarboxylic acid
nanaomycin a[no description available]low00benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones		bacterial metabolite
theogallin[no description available]low00gallate ester;
monocarboxylic acid;
tertiary alcohol
bispyribac[no description available]low00aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
gw 409544[no description available]low00monocarboxylic acid
steviol[no description available]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
bevirimat[no description available]low00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
bromochloroacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
neurosporaxanthin[no description available]low00apo carotenoid C35 terpenoid;
monocarboxylic acid
canrenoic acid[no description available]low003-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester[no description available]low00monocarboxylic acid
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00monocarboxylic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester[no description available]low00monocarboxylic acid
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester[no description available]low00monocarboxylic acid
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid[no description available]low00benzenes;
monocarboxylic acid
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
helvolic acid[no description available]low003-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
6-oxopiperidine-2-carboxylate[no description available]low00delta-lactam;
monocarboxylic acid		bacterial metabolite
3-sulfinopropionic acid[no description available]low00monocarboxylic acid;
organosulfinic acid
amibegron[no description available]low00monocarboxylic acid
ifetroban[no description available]low00benzenes;
monocarboxylic acid
chuangxinmycin[no description available]low00indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
2-oxindole-3-acetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine[no description available]low00adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
3-phenyl-3-(1-tetrazolyl)propanoic acid[no description available]low00benzenes;
monocarboxylic acid
gw 7647[no description available]low00aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid[no description available]low00gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sm 21[no description available]low00monocarboxylic acid
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
dinoprost[no description available]low00monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
montelukast[no description available]low00aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
iloprost[no description available]low00carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
13,14-dihydroretinoic acid[no description available]low00monocarboxylic acid;
retinoid
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
sulindac sulfone[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
ici 215001[no description available]low00monocarboxylic acid
beraprost[no description available]low00enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
gemifloxacin[no description available]low001,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
brl 37344[no description available]low00monocarboxylic acid
cp533536[no description available]low00monocarboxylic acid
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid[no description available]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
carmine[no description available]low00C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
ki16425[no description available]low00carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
artemisic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
dihydroartemisinic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
pyrostatin a[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol
roburic acid[no description available]low00monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite
imidazoleacetic acid ribotide[no description available]low00imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate
vanchrobactin[no description available]low00catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol		bacterial metabolite;
marine metabolite;
siderophore
spongia-13(16),14-dien-19-oic acid[no description available]low00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
germacra-1(10),4,11(13)-trien-12-oic acid[no description available]low00germacrane sesquiterpenoid;
monocarboxylic acid
ascr#5[no description available]low00monocarboxylic acid;
omega-hydroxy fatty acid ascaroside		Caenorhabditis elegans metabolite;
pheromone
tropodithietic acid[no description available]low00cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin
fumimycin[no description available]low001-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol		antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
lesinurad[no description available]low00aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
saroglitazar[no description available]low00aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist
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
ConditionIndicatedRelationship StrengthStudiesTrials
Ache0medium84
Acute Liver Injury, Drug-Induced0low30
Acute Lung Injury0low20
Adjuvant Arthritis0low10
Adverse Drug Event0medium31
Adverse Drug Reaction0medium31
AGA Deficiency0low10
Age-Related Osteoporosis0low10
Allergic Conjunctivitis0low10
Allergic Contact Dermatitis0low10
Allergic Encephalomyelitis0low10
Allergic Encephalomyelitis, Experimental0low10
Allergic Reaction0low50
Allergy0low50
Allergy, Drug0low20
Allergy, Food0low10
Allodynia0low10
Allodynia, Mechanical0low10
Allodynia, Tactile0low10
Allodynia, Thermal0low10
Alloxan Diabetes0low10
Alstrom Syndrome0low10
Alstrom-Hallgren Syndrome0low10
Alstrom's Syndrome0low10
Alstru00F6m Syndrome0low10
Amyloid Neuropathies, Familial0low10
Amyloid Neuropathy Type 10low10
Amyloid Polyneuropathy, British Type0low10
Amyloid Polyneuropathy, Iowa Type0low10
Amyloid Polyneuropathy, Swiss Type0low10
Anasarca0low10
Anemia, Fanconi0low10
Aphthae0medium1710
Appalachian Type Familial Amyloid Polyneuropathy0low10
Arthritis, Adjuvant0low10
Arthritis, Adjuvant-Induced0low10
Arthritis, Collagen-Induced0low10
Arthritis, Experimental0low10
Aspartylglucosamidase Deficiency0low10
Aspartylglucosaminuria0low10
Aspartylglycosaminuria0low10
Asthma0medium111
Asthma, Bronchial0medium111
Astrocytoma, Grade IV0low10
Atherogenesis0low10
Atherosclerosis0low10
Atopic Hypersensitivity0low20
Autoimmune Encephalomyelitis, Experimental0low10
Autoimmune Experimental Encephalomyelitis0low10
B16 Melanoma0low10
Bardet-Biedl Syndrome0low10
Benign Neoplasms0low20
Benign Neoplasms, Brain0low10
Body Weight0low20
Bone Loss, Age-Related0low10
Brain Cancer0low10
Brain Ischemia0low10
Brain Metastases0low10
Brain Neoplasm, Primary0low10
Brain Neoplasms0low10
Brain Neoplasms, Benign0low10
Brain Neoplasms, Malignant0low10
Brain Neoplasms, Malignant, Primary0low10
Brain Neoplasms, Primary Malignant0low10
Brain Tumor, Primary0low10
Brain Tumor, Recurrent0low10
Brain Tumors0low10
Breast Cancer0low20
Breast Carcinoma0low20
Breast Neoplasms0low20
Breast Tumors0low20
British Type Amyloid Polyneuropathy0low10
Bronchial Asthma0medium111
Bronchial Hyperreactivity0low10
Bronchial Spasm0low10
Bronchospasm0low10
Cancer0low20
Cancer of Brain0low10
Cancer of Breast0low20
Cancer of Skin0low10
Cancer of Stomach0low10
Cancer of the Brain0low10
Cancer of the Breast0low20
Cancer of the Skin0low10
Cancer of the Stomach0low10
Canker Sore0medium1710
Cardiovascular Stroke0low10
Cerebral Amyloid Angiopathy, British Type0low10
Cerebral Ischemia0low10
Chemical and Drug Induced Liver Injury0low30
Chemically-Induced Liver Toxicity0low30
Cirrhosis, Liver0low10
Cockayne-Touraine Disease0low10
Cockayne-Touraine Type Epidermolysis Bullosa0low10
Collagen Arthritis0low10
Community Acquired Infection0low10
Community-Acquired Infection0low10
Community-Acquired Infections0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Conjunctivitis, Allergic0low10
Conjunctivitis, Atopic0low10
Conjunctivitis, Giant Papillary0low10
Conjunctivitis, Vernal0low10
Contact Dermatitis0low30
Delayed Hypersensitivity0low10
Dermatitis Medicamentosa0low50
Dermatitis Venenata0low30
Dermatitis, Adverse Drug Reaction0low50
Dermatitis, Allergic Contact0low10
Dermatitis, Allergic Eczematous0low10
Dermatitis, Contact0low30
Dermatitis, Contact, Allergic0low10
Diabetes Mellitus, Adult-Onset0medium21
Diabetes Mellitus, Experimental0low10
Diabetes Mellitus, Ketosis-Resistant0medium21
Diabetes Mellitus, Maturity-Onset0medium21
Diabetes Mellitus, Non Insulin Dependent0medium21
Diabetes Mellitus, Non-Insulin-Dependent0medium21
Diabetes Mellitus, Noninsulin Dependent0medium21
Diabetes Mellitus, Noninsulin-Dependent0medium21
Diabetes Mellitus, Slow-Onset0medium21
Diabetes Mellitus, Stable0medium21
Diabetes Mellitus, Type 20medium21
Diabetes Mellitus, Type II0medium21
Disease Models, Animal0low60
Diseases, Metabolic0low10
Dropsy0low10
Drug Allergy0low20
Drug Eruptions0low50
Drug Hypersensitivity0low20
Drug Side Effects0medium31
Drug Toxicity0medium31
Drug-Induced Acute Liver Injury0low30
Drug-Induced Liver Disease0low30
Drug-Induced Liver Injury0low30
Drug-Related Side Effects and Adverse Reactions0medium31
Dystrophic Epidermolysis Bullosa0low10
Dystrophic Epidermolysis Bullosa, Autosomal Recessive0low10
Eczema, Contact0low30
Edema0low10
Elevated Cholesterol0low10
Encephalomyelitis, Allergic0low10
Encephalomyelitis, Autoimmune, Experimental0low10
Encephalomyelitis, Experimental Autoimmune0low10
Encephalopathy, Ischemic0low10
Eosinophilia, Pulmonary0low10
Eosinophilias, Pulmonary0low10
Eosinophilic Pneumonia0low10
Epidermolysis Bullosa Dystrophica0low10
Epidermolysis Bullosa Dystrophica, Autosomal Recessive0low10
Epidermolysis Bullosa Dystrophica, Cockayne-Touraine Type0low10
Epidermolysis Bullosa Dystrophica, Dominant0low10
Epidermolysis Bullosa Dystrophica, Hallopeau-Siemens Type0low10
Epidermolysis Bullosa Dystrophica, Recessive0low10
Epidermolysis Bullosa, Dystrophic0low10
Erythema0medium54
Experimental Allergic Encephalomyelitis0low10
Experimental Autoimmune Encephalomyelitis0low10
Experimental Diabetes Mellitus0low10
Experimental Lung Inflammation0low10
Experimental Mammary Neoplasms0low10
Experimental Melanoma0low10
Experimental Melanomas0low10
Experimental Neoplasms0low10
Facial Dermatoses0low10
Facial Dermatosis0low10
Familial Amyloid Neuropathy, Andrade Type0low10
Familial Amyloid Neuropathy, Finnish Type0low10
Familial Amyloid Neuropathy, Portuguese Type0low10
Familial Amyloid Polyneuropathies0low10
Familial Amyloid Polyneuropathy, Appalachian Type0low10
Familial Amyloid Polyneuropathy, Jewish Type0low10
Familial Amyloid Polyneuropathy, Type I0low10
Familial Amyloid Polyneuropathy, Type II0low10
Familial Amyloid Polyneuropathy, Type III0low10
Familial Amyloid Polyneuropathy, Type IV0low10
Familial Amyloid Polyneuropathy, Type V0low10
Familial Amyloid Polyneuropathy, Type VI0low10
Familial Portuguese Polyneuritic Amyloidosis0low10
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fatty Liver0low20
Fatty Liver, Nonalcoholic0medium31
Favre-Racouchot Syndrome0low10
Fever, Zika0low10
Fibrosis, Liver0low10
Finnish Type Familial Amyloid Neuropathy0low10
Food Allergy0low10
Food Hypersensitivity0low10
Gastric Cancer0low10
Gastric Cancer, Familial Diffuse0low10
Gastric Neoplasms0low10
Genetic Predisposition0low10
Genetic Predisposition to Disease0low10
Genetic Susceptibility0low10
Giant Cell Glioblastoma0low10
Glioblastoma0low10
Glioblastoma Multiforme0low10
Glucose Metabolic Disorder0low10
Glucose Metabolic Disorders0low10
Glucose Metabolism Disorder0low10
Glucose Metabolism Disorders0low10
Glycoasparaginase Deficiency0low10
Hallopeau-Siemens Disease0low10
Harding Passey Melanoma0low10
Hay Fever0medium31
Hayfever0medium31
Heart Attack0low10
Hepatic Cirrhosis0low10
Hepatitis, Drug-Induced0low30
Hepatitis, Toxic0low30
Hereditary Neuropathic Amyloidosis0low10
High Cholesterol Levels0low10
HIV Coinfection0low10
HIV Infections0low10
HTLV-III Infections0low10
HTLV-III-LAV Infections0low10
Human Mammary Carcinoma0low20
Hydrops0low10
Hyperalgesia0low10
Hyperalgesia, Mechanical0low10
Hyperalgesia, Primary0low10
Hyperalgesia, Secondary0low10
Hyperalgesia, Tactile0low10
Hyperalgesia, Thermal0low10
Hyperalgesic Sensations0low10
Hyperalgia0low10
Hyperalgia, Mechanical0low10
Hyperalgia, Primary0low10
Hyperalgia, Secondary0low10
Hypercholesteremia0low10
Hypercholesterolemia0low10
Hypersensitivity0low50
Hypersensitivity, Atopic0low20
Hypersensitivity, Contact0low30
Hypersensitivity, Delayed0low10
Hypersensitivity, Drug0low20
Hypersensitivity, Food0low10
Hypersensitivity, Immediate0low20
Hypersensitivity, Tuberculin-Type0low10
Hypersensitivity, Type I0low20
Hypersensitivity, Type IV0low10
IgE-Mediated Hypersensitivity0low20
Infections, Community-Acquired0low10
Inflammation0medium81
Injuries0low10
Injuries and Wounds0low10
Injuries, Wounds0low10
Innate Inflammatory Response0medium81
Insulin Resistance0medium41
Insulin Sensitivity0medium41
Intracranial Neoplasms0low10
Invasiveness, Neoplasm0low10
Iowa Type Amyloid Polyneuropathy0low10
Ischemia, Cerebral0low10
Ischemic Encephalopathy0low10
Jewish Type Familial Amyloid Polyneuropathy0low10
Keratoconjunctivitis, Vernal0low10
Laurence-Moon-Bardet-Biedl Syndrome0low10
Libman-Sacks Disease0low10
Lichen Planus, Oral0medium21
Liver Cirrhosis0low10
Liver Fibrosis0low10
Liver Injury, Drug-Induced0low30
Liver Injury, Drug-Induced, Acute0low30
Liver Steatosis0low20
Lobar Pneumonia0low10
Loeffler Syndrome0low10
Lung Inflammation0low10
Lung Injury, Acute0low20
Lupus Erythematosus Disseminatus0low10
Lupus Erythematosus, Systemic0low10
Lysosomal Enzyme Disorders0low10
Lysosomal Storage Diseases0low10
Maculopapular Drug Eruption0low50
Maculopapular Exanthem0low50
Malaria, Falciparum0low10
Malignancy0low20
Malignant Melanoma0low20
Malignant Neoplasm of Breast0low20
Malignant Neoplasms0low20
Malignant Neoplasms, Brain0low10
Malignant Primary Brain Neoplasms0low10
Malignant Primary Brain Tumors0low10
Malignant Tumor of Breast0low20
Mammary Cancer0low20
Mammary Carcinoma, Human0low20
Mammary Neoplasm, Human0low20
Mammary Neoplasms, Experimental0low10
Mammary Neoplasms, Human0low20
Maturity-Onset Diabetes0medium21
Maturity-Onset Diabetes Mellitus0medium21
Mechanical Allodynia0low10
Mechanical Hyperalgesia0low10
Melanoma0low20
Melanoma, B160low10
Melanoma, Cloudman S910low10
Melanoma, Experimental0low10
Melanoma, Harding-Passey0low10
Melanomas, Experimental0low10
Metabolic Diseases0low10
MODY0medium21
Morbilliform Drug Reaction0low50
Morbilliform Exanthem0low50
Muscle Contraction0low40
Muscle Relaxation0low10
Myocardial Infarct0low10
Myocardial Infarction0low10
Myopia0low10
NAFLD0medium31
Nearsightedness0low10
Neoplasia0low20
Neoplasm0low20
Neoplasm Invasion0low10
Neoplasm Invasiveness0low10
Neoplasms0low20
Neoplasms, Benign0low20
Neoplasms, Brain0low10
Neoplasms, Brain, Benign0low10
Neoplasms, Brain, Malignant0low10
Neoplasms, Brain, Primary0low10
Neoplasms, Breast0low20
Neoplasms, Experimental0low10
Neoplasms, Experimental Mammary0low10
Neoplasms, Gastric0low10
Neoplasms, Intracranial0low10
Neoplasms, Skin0low10
Neoplasms, Stomach0low10
Nerve Pain0low10
Neuralgia0low10
Neuralgia, Atypical0low10
Neuralgia, Iliohypogastric Nerve0low10
Neuralgia, Ilioinguinal0low10
Neuralgia, Perineal0low10
Neuralgia, Stump0low10
Neuralgia, Supraorbital0low10
Neuralgia, Vidian0low10
Neurodynia0low10
Neuropathic Amyloid Syndrome0low10
Neuropathic Pain0low10
NIDDM0medium21
Nodular Elastoidosis0low10
Nodular Elastosis0low10
Non-alcoholic Fatty Liver Disease0medium31
Nonalcoholic Fatty Liver Disease0medium31
Nonalcoholic Steatohepatitis0medium31
Noninsulin-Dependent Diabetes Mellitus0medium21
Obesity0medium71
Osteoarthritis of Knee0low10
Osteoarthritis of the Knee0low10
Osteoarthritis, Knee0low10
Osteoporosis0low10
Osteoporosis, Age-Related0low10
Osteoporosis, Involutional0low10
Osteoporosis, Post-Traumatic0low10
Osteoporosis, Senile0low10
Pain0medium84
Pain, Burning0medium84
Pain, Crushing0medium84
Pain, Migratory0medium84
Pain, Radiating0medium84
Pain, Splitting0medium84
Parasitemia0low30
Paroxysmal Nerve Pain0low10
Periadenitis Mucosa Necrotica Recurrens0medium1710
Peripheral Nerve Injuries0low10
Peripheral Nerve Injury0low10
Plasmodium falciparum Malaria0low10
Pneumonia0low10
Pneumonia, Eosinophilic0low10
Pneumonia, Lobar0low10
Pneumonitis0low10
Pollen Allergy0medium31
Pollinosis0medium31
Polyneuritic Amyloidosis, Portuguese0low10
Portuguese Polyneuritic Amyloidosis0low10
Portuguese Type Familial Amyloid Neuropathy0low10
Predisposition, Genetic0low10
Primary Brain Neoplasms0low10
Primary Malignant Brain Neoplasms0low10
Primary Malignant Brain Tumors0low10
Pulmonary Eosinophilia0low10
Pulmonary Eosinophilias0low10
Pulmonary Inflammation0low10
Recrudescence0medium53
Recurrence0medium53
Relapse0medium53
Research-Related Injuries0low10
Rhinitis, Allergic, Nonseasonal0low30
Rhinitis, Allergic, Perennial0low30
Rhinitis, Allergic, Seasonal0medium31
Seasonal Allergic Rhinitis0medium31
Senile Osteoporosis0low10
Sensitivity and Specificity0low10
Sensitivity, Contact0low30
Side Effects of Drugs0medium31
Simple Pulmonary Eosinophilia0low10
Skin Cancer0low10
Skin Neoplasms0low10
Steatohepatitis0low20
Steatosis of Liver0low20
Stomach Cancer0low10
Stomach Neoplasms0low10
Stomatitis, Aphthous0medium1710
Streptozocin Diabetes0low10
Streptozotocin Diabetes0low10
Suffering, Physical0medium84
Susceptibility, Genetic0low10
Swiss Type Amyloid Polyneuropathy0low10
Systemic Lupus Erythematosus0low10
T-Lymphotropic Virus Type III Infections, Human0low10
Tactile Allodynia0low10
Thermal Allodynia0low10
Thesaurismosis0low10
Toxic Hepatitis0low30
Toxicity, Drug0medium31
Trauma0low10
Tropical Eosinophilic Pneumonia0low10
Tuberculin-Type Hypersensitivity0low10
Tumors0low20
Tumors, Breast0low20
Type 2 Diabetes0medium21
Type 2 Diabetes Mellitus0medium21
Type I Familial Amyloid Polyneuropathy0low10
Type I Hypersensitivity0low20
Type II Familial Amyloid Polyneuropathy0low10
Type III Familial Amyloid Polyneuropathy0low10
Type IV Familial Amyloid Polyneuropathy0low10
Type IV Hypersensitivity0low10
Type V Familial Amyloid Polyneuropathy0low10
Type VI Familial Amyloid Polyneuropathy0low10
Ulcer, Aphthous0medium1710
Visceral Steatosis0low20
Weight Loss0low20
Weight Reduction0low20
Wohlwill-Andrade Syndrome0low10
Wohlwill-Corino Andrade Syndrome0low10
Wounds0low10
Wounds and Injuries0low10
Wounds and Injury0low10
Wounds, Injury0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (4)

ArticleYear
Dual TBK1/IKKε inhibitor amlexanox mitigates palmitic acid-induced hepatotoxicity and lipoapoptosis in vitro.
Toxicology, Volume: 444		2020
An evaluation on the efficacy and safety of amlexanox oral adhesive tablets in the treatment of recurrent minor aphthous ulceration in a Chinese cohort: a randomized, double-blind, vehicle-controlled, unparallel multicenter clinical trial.
Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics, Volume: 102, Issue: 4		2006
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
Current drug discovery technologies, Volume: 1, Issue: 4		2004
5% amlexanox oral paste, a new treatment for recurrent minor aphthous ulcers: II. Pharmacokinetics and demonstration of clinical safety.
Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics, Volume: 83, Issue: 2		1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (2)

ArticleYear
5% amlexanox oral paste, a new treatment for recurrent minor aphthous ulcers: II. Pharmacokinetics and demonstration of clinical safety.
Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics, Volume: 83, Issue: 2		1997
Pharmacodynamics of Amlexanox (AA-673) in normal and anaphylactic rat conjunctiva and its effect on histamine concentration.
Ophthalmic research, Volume: 22, Issue: 6		1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (3)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue: 3		2017
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
A clinical evaluation of amlexanox oral adhesive pellicles in the treatment of recurrent aphthous stomatitis and comparison with amlexanox oral tablets: a randomized, placebo controlled, blinded, multicenter clinical trial.
Trials, May-06, Volume: 10		2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]