Compounds > tyrphostin ag 555
Page last updated: 2024-08-01 16:39:28

tyrphostin ag 555

Description

Cross-References

ID SourceID
PubMed CID5328770
CHEMBL ID53898
SCHEMBL ID645290
SCHEMBL ID645291
MeSH IDM0229268

Synonyms (67)

Synonym
(2e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)prop-2-enamide
chembl53898 ,
(e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)-2-propenamide
bdbm4303
cid_5328770
(e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)acrylamide
tyrphostin deriv. 46
(e)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-n-(3-phenylpropyl)prop-2-enamide
MLS001076316
BRD-K34428485-001-01-0
2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)acrylamide
(e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)prop-2-enamide
smr000058519
EU-0101158
tocris-0618
lopac-t-4818
NCGC00021314-02
NCGC00016028-01
LOPAC0_001158
tyrphostin ag 555
MLS000069704 ,
HSCI1_000030
NCGC00021314-04
NCGC00016028-02
NCGC00021314-05
tyrphostin b46
NCGC00016028-06
T 4818
NCGC00016028-08
ag-555
CCG-205232
HMS2230N06
NCGC00016028-05
NCGC00016028-03
NCGC00016028-04
NCGC00016028-07
ag 555
133550-34-2
LP01158
S6525
SCHEMBL645290
SCHEMBL645291
AKOS016368124
CS-7554
OPERA_ID_732
149092-34-2
tyrphostin b-46
2-propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)-,(2e)-
(e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)- 2-propenamide
sr-01000000219
SR-01000000219-2
SR-01000000219-4
J-006402
tyrphostin ag-555
HY-15336
BCP25507
tyrphostin b46, n-(3(c) yen-phenylpropyl)-3,4-dihydroxybenzylidenecyanoacetamide
(2e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(3-phenylpropyl)-2-propenamide
EX-A1470
HMS3678I05
n-(3-phenylpropyl)-3,4-dihydroxy-alpha cyanocinnamide
HMS3414I05
DTXSID401017644
SDCCGSBI-0051125.P002
mfcd00209865
ag555
ag 555;tyrphostin ag 555

Protein Targets (102)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency10.6654AID485290
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency23.0055AID2451
Chain A, HADH2 proteinHomo sapiens (human)Potency20.8114AID886; AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency20.8114AID886; AID893
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency44.6684AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency9.6295AID2147
Chain A, ATP-DEPENDENT DNA HELICASE Q1Homo sapiens (human)Potency22.0289AID2549
Chain A, Ferritin light chainEquus caballus (horse)Potency31.6228AID2323
LuciferasePhotinus pyralis (common eastern firefly)Potency23.9341AID588342
glp-1 receptor, partialHomo sapiens (human)Potency12.5893AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency28.2944AID588453
15-lipoxygenase, partialHomo sapiens (human)Potency2.5119AID887
WRNHomo sapiens (human)Potency28.1838AID651768
phosphopantetheinyl transferaseBacillus subtilisPotency63.0957AID1490
ATAD5 protein, partialHomo sapiens (human)Potency16.3535AID493107
USP1 protein, partialHomo sapiens (human)Potency56.2341AID504865
NFKB1 protein, partialHomo sapiens (human)Potency1.1220AID895; AID928
GLS proteinHomo sapiens (human)Potency0.7079AID624146
TDP1 proteinHomo sapiens (human)Potency11.5727AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency14.4542AID1460; AID1468
ThrombopoietinHomo sapiens (human)Potency1.5849AID917; AID918
DNA polymerase III, partialBacillus subtilisPotency21.1923AID485295
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency20.0850AID1030
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)Homo sapiens (human)Potency10.2663AID914; AID915
regulator of G-protein signaling 4Homo sapiens (human)Potency13.3714AID504845
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency8.9125AID504333
IDH1Homo sapiens (human)Potency9.2000AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency5.0944AID504332
heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa)Homo sapiens (human)Potency17.4745AID504836; AID602332
Bloom syndrome protein isoform 1Homo sapiens (human)Potency27.0050AID2364; AID2528
cytochrome P450 2D6 isoform 1Homo sapiens (human)Potency35.7168AID891
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency39.5068AID2100
peripheral myelin protein 22 isoform 1Homo sapiens (human)Potency19.0115AID1967
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency12.9566AID902; AID924
polyunsaturated fatty acid lipoxygenase ALOX12Homo sapiens (human)Potency15.8489AID1452
cytochrome P450 2C19 precursorHomo sapiens (human)Potency20.8114AID899
D(1A) dopamine receptorHomo sapiens (human)Potency31.6228AID488983
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency23.8427AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency50.1187AID504847
chromobox protein homolog 1Homo sapiens (human)Potency5.9665AID488953; AID540317
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency15.8489AID588834
importin subunit beta-1 isoform 1Homo sapiens (human)Potency40.8708AID540253; AID540263
DNA polymerase betaHomo sapiens (human)Potency79.4328AID485314
mitogen-activated protein kinase 1Homo sapiens (human)Potency31.6228AID1454; AID995
ras-related protein Rab-9AHomo sapiens (human)Potency100.0000AID485297
serine/threonine-protein kinase mTOR isoform 1Homo sapiens (human)Potency17.4872AID2667; AID2668
snurportin-1Homo sapiens (human)Potency40.8708AID540253; AID540263
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency22.1060AID2662
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency11.9955AID504536
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency31.6228AID540253
DNA polymerase eta isoform 1Homo sapiens (human)Potency15.8489AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency39.1512AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency3.5481AID540303
plasminogen precursorMus musculus (house mouse)Potency3.5481AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency3.5481AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency23.0296AID2546; AID2551
gemininHomo sapiens (human)Potency11.8637AID463097; AID504364; AID624296; AID624297
DNA polymerase kappa isoform 1Homo sapiens (human)Potency14.1254AID588579
survival motor neuron protein isoform dHomo sapiens (human)Potency14.7982AID1458
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency2.5119AID884; AID885
M-phase phosphoprotein 8Homo sapiens (human)Potency7.7582AID488949
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency28.1838AID2675
muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)Potency11.2202AID944
lamin isoform A-delta10Homo sapiens (human)Potency18.3174AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency0.7943AID1461
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency2.5119AID885
Polyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)Potency31.6228AID881
Rap guanine nucleotide exchange factor 3Homo sapiens (human)Potency31.6228AID720709
Integrin beta-3Homo sapiens (human)Potency25.1189AID924
Integrin alpha-IIbHomo sapiens (human)Potency25.1189AID924
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency2.5119AID885
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency31.6228AID881
D(1A) dopamine receptorSus scrofa (pig)Potency18.4927AID2667
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency2.5119AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency2.5119AID885
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency11.2202AID1457
GABA theta subunitRattus norvegicus (Norway rat)Potency2.5119AID885
Ataxin-2Homo sapiens (human)Potency35.4813AID588378
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency2.5119AID885
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency7.5686AID485368

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
90-kda heat shock protein beta HSP90 beta, partialHomo sapiens (human)IC5019.1225AID712
Janus kinase 2 (a protein tyrosine kinase)Homo sapiens (human)IC506.0070AID1699
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproproteinHomo sapiens (human)IC505.1600AID518
heat shock protein HSP 90-alpha isoform 2Homo sapiens (human)IC5019.1225AID712
Epidermal growth factor receptorHomo sapiens (human)IC500.9583AID162571; AID1795628; AID358171; AID66448; AID69711; AID69890; AID89324
Receptor tyrosine-protein kinase erbB-2Homo sapiens (human)IC5034.8912AID164335; AID68095; AID68103
Glutamate receptor ionotropic, NMDA 1 Rattus norvegicus (Norway rat)IC5053.5533AID143779; AID143785; AID143788
Glutamate receptor ionotropic, NMDA 2A Rattus norvegicus (Norway rat)IC50100.0000AID143779
Glutamate receptor ionotropic, NMDA 2BRattus norvegicus (Norway rat)IC500.6600AID143785
Glutamate receptor ionotropic, NMDA 2CRattus norvegicus (Norway rat)IC5060.0000AID143788
large T antigenBetapolyomavirus macacaeIC5020.9700AID1903

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
NPYLR7BAedes aegypti (yellow fever mosquito)EC5020.0000AID1259426

Bioassays (51)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
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
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID326317Activity of pig recombinant catechol-O-methyltransferase assessed per unit enzyme2007The Journal of biological chemistry, Oct-19, Volume: 282, Issue:42
ISSN: 0021-9258		S-adenosylmethionine-dependent protein methylation in mammalian cytosol via tyrphostin modification by catechol-O-methyltransferase.
AID524794Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524790Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID66448In vitro inhibition of HER1 autophosphorylation.1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.
AID54308Inhibition of HER14 (human EGFR overexpressing NIH3T3) cell growth in the absence of EGF.1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.
AID524796Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID143788Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623		Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists.
AID143779Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623		Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists.
AID69711Inhibitory activity against epidermal growth factor receptor (EGFR)2003Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22
ISSN: 0022-2623		Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors.
AID358171Inhibition of EGFR in human A431 cells1992Journal of natural products, Nov, Volume: 55, Issue:11
ISSN: 0163-3864		Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents.
AID143785Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623		Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists.
AID326316Effect on catechol-O-methyltransferase assessed as stimulation of methylation of mouse heart cytosol proteins per miligram of protein at 100 uM after 2 hrs by vapor-diffusion assay2007The Journal of biological chemistry, Oct-19, Volume: 282, Issue:42
ISSN: 0021-9258		S-adenosylmethionine-dependent protein methylation in mammalian cytosol via tyrphostin modification by catechol-O-methyltransferase.
AID521220Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay2007Nature chemical biology, May, Volume: 3, Issue:5
ISSN: 1552-4450		Chemical genetics reveals a complex functional ground state of neural stem cells.
AID162571Inhibition of polyGAT phosphorylation1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.
AID89324Inhibition of HER14 (human EGFR overexpressing) cell proliferation.1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.
AID524791Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID68103Inhibition of ERBB2 receptor autophosphorylation1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623		Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists.
AID524795Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID68095In vitro inhibition of ERBB2 receptor kinase autophosphorylation.1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.
AID69890Inhibition of Epidermal growth factor receptor autophosphorylation1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623		Structure-activity relationship of N-(phenylalkyl)cinnamides as novel NR2B subtype-selective NMDA receptor antagonists.
AID164335Inhibitory activity tested against protein kinase HER-22003Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22
ISSN: 0022-2623		Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors.
AID524793Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524792Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1745854NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411		In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
ISSN: 0021-9258		Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1745855NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411		In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588378qHTS for Inhibitors of ATXN expression: Validation2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		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
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
ISSN: 1552-454X		A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
ISSN: 1932-6203		Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
AID1795628EGFR assay from Article 10.1021/jm00110a022: \\Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.\\1991Journal of medicinal chemistry, Jun, Volume: 34, Issue:6
ISSN: 0022-2623		Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases.

Research

Studies (21)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's3 (14.29)18.2507
2000's6 (28.57)29.6817
2010's7 (33.33)24.3611
2020's5 (23.81)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (4.76%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other20 (95.24%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
2
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		2007201612.5low000110
4-hydroxybenzoic acid
1
monohydroxybenzoic acidalgal metabolite;
plant metabolite		1992199232.0low001000
aminolevulinic acid
1
4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		202320231.0low000001
acetamide
1
acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia		2007200717.0low000100
9-xylosyladenine
1
purine nucleoside201620168.0low000010
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2007200717.0low000100
catechol
2
catecholsallelochemical;
genotoxin;
plant metabolite		2007200916.0low000200
coumarin
2
coumarinsfluorescent dye;
human metabolite;
plant metabolite		201620234.5low000011
salicylic acid
2
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		201620234.5low000011
taxifolin
2
3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone		2007200916.0low000200
malic acid
1
2-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite		201620168.0low000010
phosphonoacetic acid
3
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		2007201613.3low000210
3,4-dihydroxyphenylacetic acid
2
catechols;
dihydroxyphenylacetic acid		human metabolite2007200916.0low000200
aminocaproic acid
1
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		2007200717.0low000100
diacetyl
1
alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		201620168.0low000010
hydroquinone
2
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		2007200916.0low000200
thioctic acid
1
dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector		202320231.0low000001
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		2007200717.0low000100
n-acetylserotonin
1
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		2007200717.0low000100
naringenin
1
4'-hydroxyflavanones;
trihydroxyflavanone		201620168.0low000010
niacinamide
1
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		201620168.0low000010
niacin
1
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		201620168.0low000010
picolinic acid
1
pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material		202320231.0low000001
pyrazinamide
2
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2007201612.5low000110
pyrazinoic acid
1
pyrazinecarboxylic acidantitubercular agent;
drug metabolite		201620168.0low000010
quinolinic acid
1
pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist		2007200717.0low000100
taurine
1
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
thiamine
1
primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
2-amino-5-phosphonovalerate
1
non-proteinogenic alpha-amino acidNMDA receptor antagonist2007200717.0low000100
alpha-methyl-4-carboxyphenylglycine
1
2007200717.0low000100
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid
1
2007200717.0low000100
1-hydroxy-3-amino-2-pyrrolidone
1
2007200717.0low000100
ibotenic acid
1
non-proteinogenic alpha-amino acidneurotoxin2007200717.0low000100
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane
1
2007200717.0medium000100
sk&f-38393
2
benzazepine;
catechols;
secondary amino compound		2007200916.0low000200
vanilmandelic acid
1
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite2007200717.0low000100
1,10-diaminodecane
2
2007200916.0low000200
1,10-phenanthroline
1
phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor		201620168.0low000010
1,3-diethyl-8-phenylxanthine
1
2007200717.0low000100
1,3-dipropyl-8-cyclopentylxanthine
3
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007201613.3low000210
1,3-dipropyl-8-(4-sulfophenyl)xanthine
1
2007200717.0low000100
1,5-dihydroxyisoquinoline
1
isoquinolinolEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
pk 11195
2
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent2007200916.0low000200
1-(2-trifluoromethylphenyl)imidazole
1
imidazoles2007200717.0low000100
1-aminobenzotriazole
2
2007200916.0low000200
1-methylimidazole
1
imidazoles2007200717.0low000100
edelfosine
1
glycerophosphocholine2007200717.0low000100
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
2
oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor2007200916.0low000200
2,2'-dipyridyl
3
bipyridinechelator;
ferroptosis inhibitor		2007201613.3low000210
2-hydroxysaclofen
1
organochlorine compound2007200717.0low000100
3,4-dichloroisocoumarin
2
isocoumarins;
organochlorine compound		geroprotector;
serine protease inhibitor		2007200916.0low000200
phaclofen
1
organophosphate oxoanion;
zwitterion		2007200717.0low000100
3-aminobenzamide
2
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor200720239.0low000101
3-bromo-7-nitroindazole
1
2007200717.0low000100
enprofylline
1
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		2007200717.0low000100
3-nitropropionic acid
1
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		2007200717.0low000100
pleconaril
1
202320231.0low000001
ro 5-4864
1
201620168.0low000010
cgp 52411
1
phthalimidesgeroprotector;
tyrosine kinase inhibitor		2009200915.0low000100
4-(2-aminoethyl)benzenesulfonylfluoride
1
202320231.0low000001
4-amino-1,8-naphthalimide
2
benzoisoquinoline;
dicarboximide		2007200916.0low000200
4-aminopyridine
2
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2007201612.5low000110
homovanillic acid
2
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		2007200916.0low000200
4-hydroxybenzoic acid hydrazide
1
carbohydrazide;
phenols		2007200717.0low000100
4-phenyl-3-furoxancarbonitrile
2
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200916.0medium000200
5,5-dimethyl-1-pyrroline-1-oxide
1
1-pyrroline nitronesneuroprotective agent;
spin trapping reagent		2007200717.0low000100
phenytoin
3
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		200720238.7low000111
5,7-dichlorokynurenic acid
1
quinolines2007200717.0low000100
5,8,11,14-eicosatetraynoic acid
1
long-chain fatty acid201620168.0low000010
5-(n,n-hexamethylene)amiloride
2
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker		2007200916.0low000200
ethylisopropylamiloride
2
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		2007200916.0low000200
5-fluoroindole-2-carboxylic acid
3
indolyl carboxylic acid2007201613.3medium000210
hydroxyindoleacetic acid
1
indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite		2007200717.0low000100
phenanthridone
2
lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen		2007200916.0low000200
6-chloromelatonin
1
acetamides2007200717.0low000100
6-hydroxymelatonin
1
acetamides;
tryptamines		metabolite;
mouse metabolite		2007200717.0low000100
6-methoxytryptoline
1
2007200717.0low000100
6-nitroso-1,2-benzopyrone
2
2007200916.0medium000200
7,8-dihydroxyflavone
1
dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist		1992199232.0low001000
7-chlorokynurenic acid
1
organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist		2007200717.0low000100
etofylline
1
oxopurine201620168.0low000010
7-nitroindazole
2
2007201612.5low000110
8-(4-sulfophenyl)theophylline
2
2007200916.0low000200
8-cyclopentyl-1,3-dimethylxanthine
1
oxopurine2007200717.0low000100
8-phenyltheophylline
1
2007200717.0low000100
aa 861
2
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		2009201611.5low000110
acetarsol
1
acetamides;
anilide		201620168.0low000010
acetazolamide
3
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		200720238.7low000111
acetohexamide
1
acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
ag 127
2
nitrophenol2007200916.0medium000200
rtki cpd
2
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		2007200916.0low000200
tyrphostin a23
3
catechols2007200916.3low000300
tyrphostin 25
3
benzenetriol2007200916.3low000300
tyrphostin a1
2
methoxybenzenesgeroprotector2007200717.0medium000200
1-aminoindan-1,5-dicarboxylic acid
1
2007200717.0low000100
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2007200717.0low000100
alpha-methyltyrosine methyl ester
1
2007200717.0low000100
alprenolol
1
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		202320231.0low000001
altretamine
2
triamino-1,3,5-triazine2007201612.5low000110
amantadine
1
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		202320231.0low000001
amfonelic acid
1
2007200717.0low000100
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		2007200717.0low000100
theophylline
2
dimethylxanthineadenosine 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		2007201612.5low000110
2-aminothiazole
1
1,3-thiazoles;
primary amino compound		202320231.0low000001
amodiaquine
1
aminoquinoline;
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		202320231.0low000001
amoxapine
3
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2007201613.3low000210
aniracetam
2
N-acylpyrrolidine;
pyrrolidin-2-ones		2007201612.5low000110
anisindione
1
aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist		201620168.0low000010
2-amino-4-phosphonobutyric acid
1
2007200717.0low000100
aspirin
2
benzoic 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		200720239.0low000101
astemizole
1
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201620168.0low000010
atenolol
2
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2007201612.5low000110
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate
1
alpha-amino acid2007200717.0low000100
aurintricarboxylic acid
2
monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist		2007200916.0low000200
azathioprine
2
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2007200916.0low000200
azelaic acid
2
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		2007201612.5low000110
baclofen
2
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		200720239.0low000101
bay-k-8644
3
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2007201613.3low000210
bendroflumethiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
benzamide
2
benzamides200720239.0low000101
benzbromarone
1
1-benzofurans;
aromatic ketone		uricosuric drug201620168.0low000010
benzothiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
bepridil
1
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
bay h 4502
1
biphenyls;
imidazoles		201620168.0low000010
bisacodyl
1
diarylmethane201620168.0low000010
bml 190
2
N-acylindole2007200916.0medium000200
brimonidine
3
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		2007201613.3low000210
bu 224
1
quinolines2009200915.0low000100
bufexamac
1
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
bumetanide
2
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2007201612.5low000110
butacaine
1
benzoate ester201620168.0low000010
butamben
1
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic201620168.0low000010
caffeine
1
purine 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		2007200717.0low000100
camostat
1
benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		202320231.0low000001
camphor, (+-)-isomer
1
bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite202320231.0low000001
candesartan
1
benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
carbamazepine
2
dibenzoazepine;
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		2007201612.5low000110
carbetapentane
1
benzenes2007200717.0low000100
carisoprodol
2
carbamate estermuscle relaxant2007201612.5low000110
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2007200717.0low000100
cetylpyridinium
1
pyridinium ion202320231.0low000001
cgs 12066
1
N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist2007200717.0low000100
cgs 15943
2
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant		2007200916.0low000200
chlorambucil
3
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007201613.3low000210
chlormezanone
1
1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant		2007200717.0low000100
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2009200915.0low000100
chlorothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
chloroxylenol
1
monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide		202320231.0low000001
chlorpromazine
1
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		202320231.0low000001
chlorpropamide
2
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007201612.5low000110
chlorthalidone
1
isoindoles;
monochlorobenzenes;
sulfonamide		201620168.0low000010
chlorzoxazone
2
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		2007201612.5low000110
cilostamide
2
quinolines2007200916.0low000200
cilostazol
3
lactam;
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		2007201613.3low000210
cimetidine
3
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007201613.3low000210
cinoxacin
3
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		2007201613.3low000210
ciprofibrate
2
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug200720239.0low000101
clofibrate
1
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2007200717.0low000100
clomipramine
1
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor		202320231.0low000001
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide
1
sulfonamide201620168.0low000010
clotrimazole
2
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		2007200916.0low000200
cx546
1
2007200717.0low000100
cyclothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
danthron
1
dihydroxyanthraquinoneapoptosis inducer;
plant metabolite		202320231.0low000001
dapsone
1
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		201620168.0low000010
deferiprone
2
4-pyridonesiron chelator;
protective agent		201620234.5low000011
dephostatin
1
2007200717.0low000100
nonivamide
1
capsaicinoid;
phenols		lachrymator2007200717.0low000100
r 59022
1
diarylmethane2007200717.0low000100
diazoxide
2
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		2007201612.5low000110
dibucaine
1
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic201620168.0low000010
dichlorophen
1
bridged diphenyl fungicide;
diarylmethane		201620168.0low000010
pentetic acid
1
pentacarboxylic acidcopper chelator2007200717.0low000100
diflunisal
1
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
diphenyleneiodonium
1
organic cation2007200717.0low000100
dipyridamole
4
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007202310.2low000211
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2007200717.0low000100
disulfiram
4
organic 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		2007202310.2low000211
valproic acid
1
branched-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		202320231.0low000001
2-amino-7-phosphonoheptanoic acid
1
2007200717.0low000100
thiorphan
1
N-acyl-amino acid2007200717.0low000100
2,3-dimethoxy-1,4-naphthoquinone
2
1,4-naphthoquinones2007200916.0low000200
domperidone
3
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2007201613.3low000210
doxazosin
1
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		202320231.0low000001
droperidol
3
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2007201613.3low000210
dipropizine
1
piperazines201620168.0low000010
dyphylline
1
oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent		201620168.0low000010
ebselen
4
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		2007202310.2low000211
ellipticine
3
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2007201613.3low000210
emodin
3
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		1992200921.3low001200
epirizole
1
aromatic ether201620168.0low000010
ethacrynic acid
1
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		201620168.0low000010
myambutol
1
amino alcohol201620168.0medium000010
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2007200717.0low000100
ethoxzolamide
1
aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		201620168.0low000010
etidronate
1
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		202320231.0low000001
etodolac
2
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007201612.5low000110
2-hexyloxybenzamide
1
aromatic ether;
benzamides		antifungal agent202320231.0low000001
brl 42810
1
2-aminopurines;
acetate ester		antiviral drug;
prodrug		202320231.0low000001
felbamate
2
carbamate esteranticonvulsant;
neuroprotective agent		2007201612.5low000110
4-biphenylylacetic acid
1
biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug201620168.0low000010
felodipine
3
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007201613.3low000210
fenbufen
1
4-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug201620168.0low000010
fenofibrate
3
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2007201613.3low000210
flucytosine
1
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug201620168.0low000010
flufenamic acid
1
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
fluphenazine
1
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		202320231.0low000001
flumazenil
2
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2007201612.5low000110
flumequine
1
3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic		201620168.0low000010
fluorouracil
4
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2007202310.2low000211
flurbiprofen
1
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
fluspirilene
2
diarylmethane2007200916.0low000200
flutamide
2
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2007200916.0low000200
formoterol fumarate
2
formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound		2007200916.0low000200
fpl 64176
2
carboxylic ester;
pyrroles		calcium channel agonist2007200916.0low000200
furafylline
1
oxopurine2007200717.0low000100
furosemide
2
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2007200916.0low000200
fusaric acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
gabapentin
1
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2007200717.0low000100
gabexate
1
benzoate ester202320231.0low000001
4-amino-5-hexynoic acid
1
2007200717.0low000100
gemfibrozil
1
aromatic etherantilipemic drug201620168.0low000010
glipizide
2
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2007201612.5low000110
glutaral
1
dialdehydecross-linking reagent;
disinfectant;
fixative		202320231.0low000001
glyburide
3
monochlorobenzenes;
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		2007201613.3low000210
fluorometholone
1
201620168.0medium000010
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
1
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor201620168.0low000010
1-(5-isoquinolinesulfonyl)piperazine
1
isoquinolines2007200717.0low000100
fasudil
1
isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent		202320231.0low000001
haloperidol
4
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2007202310.2low000211
harmaline
1
harmala alkaloidoneirogen201620168.0low000010
hemicholinium 3
1
morpholines2007200717.0low000100
hexachlorophene
1
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug		201620168.0low000010
miltefosine
1
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		202320231.0low000001
4-fluorohexahydrosiladifenidol
1
2007200717.0low000100
hexylresorcinol
1
resorcinols202320231.0low000001
beta-thujaplicin
1
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		202320231.0low000001
hexamethylene bisacetamide
1
acetamides201620168.0low000010
hycanthone
2
thioxanthenesmutagen;
schistosomicide drug		201620234.5low000011
hydrochlorothiazide
3
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		200720238.7low000111
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		201620168.0low000010
hydroxyurea
2
one-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		200720239.0low000101
ibudilast
1
pyrazolopyridine2007200717.0low000100
ibuprofen
3
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		200720238.7low000111
ic 261
2
indoles2007200916.0medium000200
lidocaine
1
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		201620168.0low000010
ifenprodil
1
piperidines2007200717.0low000100
amrinone
1
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor201620168.0low000010
indapamide
1
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
indirubin-3'-monoxime
2
2007200916.0low000200
indomethacin
3
aromatic 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		200720238.7low000111
indoprofen
1
gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
iodoacetamide
1
2007200717.0low000100
ipriflavone
1
aromatic ether;
isoflavones		bone density conservation agent201620168.0low000010
avapro
1
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
1-methyl-3-isobutylxanthine
1
3-isobutyl-1-methylxanthine2007200717.0low000100
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		201620168.0low000010
4-piperidinecarboxylic acid
2
2007200916.0low000200
itraconazole
2
piperazines201620234.5low000011
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline
1
2007200717.0low000100
jl 18
2
2007200916.0medium000200
nsc 664704
2
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		2007200916.0low000200
ketoconazole
2
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2007200916.0low000200
ketoprofen
2
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2007201612.5low000110
khellin
1
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		201620168.0low000010
kojic acid
1
4-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent		202320231.0low000001
kynurenic acid
1
monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
2-amino-3-phosphonopropionic acid
1
alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist		2007200717.0low000100
lamotrigine
2
1,2,4-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		2007201612.5low000110
lansoprazole
3
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2007201613.3low000210
lapachol
1
202320231.0low000001
beta-lapachone
2
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2007200916.0low000200
lavendustin a
1
aromatic amine1992199232.0low001000
lavendustin b
1
1992199232.0low001000
leflunomide
2
(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		2007201612.5low000110
linopirdine
2
indoles2007200916.0low000200
loperamide
1
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		202320231.0low000001
loratadine
4
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2007202310.2low000211
losartan
1
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		202320231.0low000001
loxoprofen
1
cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2007200717.0low000100
ly 171883
1
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		201620168.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2007200717.0low000100
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
1
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
mafenide
1
aromatic amine202320231.0low000001
edaravone
1
pyrazoloneantioxidant;
radical scavenger		201620168.0low000010
meclofenamate sodium anhydrous
2
organic sodium salt2007201612.5low000110
mefenamic acid
1
aminobenzoic 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		201620168.0low000010
vitamin k 3
1
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		201620168.0low000010
methazolamide
2
sulfonamide;
thiadiazoles		201620234.5low000011
methiothepin
1
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist		2007200717.0low000100
methocarbamol
2
aromatic ether;
carbamate ester;
secondary alcohol		201620234.5low000011
methoctramine
1
aromatic ether;
tetramine		muscarinic antagonist2007200717.0low000100
nocodazole
2
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2007200916.0low000200
3-Hydroxy-alpha-methyl-DL-tyrosine
1
benzenes;
monocarboxylic acid		2007200717.0low000100
metolazone
2
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		2007200916.0low000200
metronidazole
1
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		201620168.0low000010
milrinone
1
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200717.0low000100
minoxidil
2
dialkylarylamine;
tertiary amino compound		2007201612.5low000110
mitotane
1
diarylmethane2007200717.0low000100
mitoxantrone
3
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2007202311.0low000201
ml 7
2
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2007200916.0low000200
ml 9
1
naphthalenes;
sulfonic acid derivative		2009200915.0low000100
moclobemide
1
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		201620168.0low000010
entinostat
1
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2007200717.0low000100
acecainide
1
acetamides;
benzamides		anti-arrhythmia drug201620168.0low000010
n-bromoacetamide
1
2007200717.0low000100
ethylmaleimide
2
maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor		200720239.0low000101
fg 7142
2
beta-carbolines2007200916.0low000200
fenamic acid
1
aminobenzoic acid;
secondary amino compound		membrane transport modulator2007200717.0low000100
n 0840
2
2007200916.0medium000200
nabumetone
2
methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		201620234.5low000011
nafamostat
1
benzoic acids;
guanidines		202320231.0low000001
nalidixic acid
1
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		201620168.0low000010
nevirapine
2
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		201620234.5low000011
nialamide
3
organonitrogen compound;
organooxygen compound		2007201613.3low000210
niclosamide
2
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		2007200916.0low000200
nifedipine
3
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2007201613.3low000210
niflumic acid
2
aromatic carboxylic acid;
pyridines		2007201612.5low000110
nilutamide
1
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		2007200717.0low000100
nimesulide
2
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2007201612.5low000110
nimodipine
3
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		2007201613.3low000210
nipecotic acid
1
beta-amino acid;
piperidinemonocarboxylic acid		2007200717.0low000100
nitrendipine
3
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2007201613.3low000210
masoprocol
2
catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite		2007200916.0low000200
norfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic		201620168.0low000010
cm 7116
1
benzodiazepine201620168.0low000010
5-nitro-2-(3-phenylpropylamino)benzoic acid
2
nitrobenzoic acid2007200916.0low000200
ns 2028
1
2007200717.0low000100
ns 1619
2
(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener2007200916.0low000200
o(6)-benzylguanine
1
2007200717.0low000100
ofloxacin
3
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2007201613.3low000210
olomoucine
2
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2007200916.0low000200
omeprazole
2
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		201620234.5low000011
osalmide
1
organic molecular entity202320231.0low000001
oxaprozin
2
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		2007200916.0low000200
oxatomide
2
benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist		2007200916.0low000200
oxethazaine
1
amino acid amide202320231.0low000001
oxiracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
oxolinic acid
1
aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor		2007200717.0low000100
aminosalicylic acid
1
aminobenzoic acid;
phenols		antitubercular agent201620168.0low000010
quinone
1
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
fenclonine
1
phenylalanine derivative2007200717.0low000100
palmidrol
3
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		2007202311.0low000201
papaverine
1
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		202320231.0low000001
1,7-dimethylxanthine
1
dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
pd 169316
1
imidazoles2009200915.0low000100
pd 98059
2
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2007200916.0low000200
pentamidine
1
aromatic 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		2007200717.0low000100
pentoxifylline
3
oxopurine200720238.7low000111
perhexiline
1
piperidinescardiovascular drug202320231.0low000001
perphenazine
3
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2007201613.3low000210
phenazopyridine
1
diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic		202320231.0low000001
phenindione
1
aromatic ketone;
beta-diketone		anticoagulant201620168.0low000010
phenolphthalein
1
phenols201620168.0low000010
4-phenylbutyric acid
2
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		201620234.5low000011
phenyl biguanide
2
guanidinescentral nervous system drug2007200916.0low000200
phenylbutazone
3
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		2007201613.3low000210
phenylmethylsulfonyl fluoride
1
acyl fluorideserine proteinase inhibitor202320231.0low000001
phloretin
2
dihydrochalconesantineoplastic agent;
plant metabolite		2007200916.0low000200
picotamide
2
benzamides2007200916.0low000200
pimobendan
1
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		202320231.0low000001
pinacidil
3
pyridines2007201613.3low000210
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2007200717.0low000100
pipemidic acid
1
amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		201620168.0low000010
piperidine-4-sulfonic acid
1
2007200717.0low000100
piracetam
2
organonitrogen compound;
organooxygen compound		2007201612.5low000110
pirenperone
3
aromatic ketone2007201613.3low000210
pj-34
1
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		202320231.0low000001
praziquantel
4
isoquinolines2007202310.2low000211
primidone
2
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2007201612.5low000110
probenecid
2
benzoic acids;
sulfonamide		uricosuric drug201620234.5low000011
probucol
2
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		201620234.5low000011
prochlorperazine
1
N-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		201620168.0low000010
proglumide
1
benzamides;
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		2007200717.0low000100
promazine
1
phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist		202320231.0low000001
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		202320231.0low000001
propentofylline
2
oxopurine2007200916.0low000200
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2007200717.0low000100
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		202320231.0low000001
proxyphylline
1
oxopurine201620168.0low000010
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		201620168.0low000010
pf 5901
3
quinolines2007201613.3low000210
riluzole
3
benzothiazoles2007201613.3low000210
rimantadine
1
alkylamine202320231.0low000001
risperidone
2
1,2-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		2007200916.0low000200
ritanserin
3
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2007201613.3low000210
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
1
methoxybenzenes2007200717.0low000100
rolipram
3
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		200720238.7low000111
ronidazole
1
C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug		201620168.0low000010
salicylamide
1
phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic		201620168.0low000010
salmeterol xinafoate
1
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound		2007200717.0low000100
sb 202190
2
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2007200916.0low000200
scriptaid
1
isoquinolines202320231.0low000001
sebacic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite		202320231.0low000001
sobuzoxane
1
organic molecular entity2007200717.0low000100
spiperone
1
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		201620168.0low000010
aldactazide
1
steroid lactone201620168.0medium000010
spiroxatrine
2
imidazolidines2007200916.0low000200
fenofibrate
1
benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor		202320231.0low000001
sq 22536
1
nucleoside analogue;
oxolanes		EC 4.6.1.1 (adenylate cyclase) inhibitor2007200717.0low000100
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		202320231.0low000001
streptonigrin
1
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		201620168.0low000010
sulfabenzamide
1
benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug		201620168.0low000010
sulfacetamide
1
N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfadimethoxine
1
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		201620168.0low000010
sulfamerazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen		201620168.0low000010
sulfamethazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic		201620168.0low000010
sulfamethizole
1
sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfamethoxazole
1
isoxazoles;
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		201620168.0low000010
sulfamethoxypyridazine
1
pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfaphenazole
1
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor		2007200717.0low000100
sulpiride
1
benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
suprofen
1
aromatic 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		202320231.0low000001
t0156
2
naphthyridine derivative2007200916.0medium000200
1,4-bis(2-(3,5-dichloropyridyloxy))benzene
1
2007200717.0low000100
tegafur
1
organohalogen compound;
pyrimidines		201620168.0low000010
terazosin
1
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		201620168.0low000010
terfenadine
3
diarylmethane2007201613.3low000210
tetraisopropylpyrophosphamide
2
phosphoramide2007200916.0low000200
thalidomide
2
phthalimides;
piperidones		200720239.0low000101
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2007200717.0low000100
thiabendazole
1
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		201620168.0low000010
ticlopidine
1
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		202320231.0low000001
tinidazole
1
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		201620168.0low000010
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid2007200717.0low000100
tolazamide
2
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2007201612.5low000110
tolbutamide
2
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2007201612.5low000110
tolnaftate
1
monothiocarbamic esterantifungal drug201620168.0low000010
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid
1
2007200717.0low000100
ici 136,753
2
pyrazolopyridine2007200916.0low000200
trapidil
1
triazolopyrimidines201620168.0low000010
triamterene
3
pteridinesdiuretic;
sodium channel blocker		2007202311.0low000201
trichlormethiazide
1
benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic		201620168.0low000010
trifluoperazine
1
N-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		202320231.0low000001
triflupromazine
1
organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		202320231.0low000001
trigonelline
1
alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite		202320231.0low000001
trimethobenzamide
1
benzamides;
tertiary amino compound		antiemetic202320231.0low000001
trimethoprim
4
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2007202310.2low000211
tropicamide
1
acetamides2007200717.0low000100
tyramine
1
monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter		201620168.0low000010
tyrphostin a9
3
alkylbenzenegeroprotector2007202311.0low000201
delavirdine
1
aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
vesamicol
1
piperidines201620168.0low000010
vesnarinone
1
organic molecular entity202320231.0low000001
vigabatrin
1
gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor		2007200717.0low000100
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
2
2007200916.0low000200
xylazine
1
1,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative		201620168.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
2
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200916.0low000200
zardaverine
1
organofluorine compound;
pyridazinone		anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug		2007200717.0low000100
zopiclone
1
monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative		201620168.0low000010
hydrocortisone acetate
1
cortisol ester;
tertiary alpha-hydroxy ketone		201620168.0low000010
cortisone acetate
1
corticosteroid hormone2007200717.0low000100
oxyphenonium bromide
1
201620168.0low000010
corticosterone
3
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007201613.3low000210
reserpine
2
alkaloid 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		2007200916.0low000200
phentolamine
1
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		201620168.0low000010
floxuridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		201620168.0low000010
procaine hydrochloride
1
organic molecular entity2007200717.0low000100
isoproterenol hydrochloride
2
catechols2007200916.0low000200
histamine dihydrochloride
1
2007200717.0low000100
neostigmine methylsulfate
1
arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor201620168.0low000010
carbachol
1
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		2007200717.0low000100
spironolactone
2
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200916.0low000200
prednisolone acetate
1
corticosteroid hormone201620168.0low000010
trichlorfon
1
organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide		201620168.0low000010
estrone
3
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		2007201613.3low000210
androsterone
3
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		2007201613.3low000210
promazine hydrochloride
3
hydrochloride2007201613.3medium000210
azauridine
1
N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite		201620168.0low000010
idoxuridine
1
organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor		202320231.0low000001
pilocarpine hydrochloride
2
hydrochloride2007201612.5medium000110
dimethylphenylpiperazinium iodide
3
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist2007201613.3low000210
pentylenetetrazole
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound		2007200717.0low000100
racepinephrine hydrochloride
2
2007200916.0medium000200
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride
2
2007200916.0low000200
hexamethonium bromide
1
2007200717.0low000100
cystamine dihydrochloride
1
2007200717.0medium000100
cantharidin
2
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2007200916.0low000200
tetraethylammonium chloride
2
organic chloride salt;
quaternary ammonium salt		potassium channel blocker2007200916.0medium000200
desoxycorticosterone acetate
1
corticosteroid hormone201620168.0low000010
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		202320231.0low000001
aspartic acid
1
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		2007200717.0low000100
glutamine
1
amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
lysine
1
aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
benzyltrimethylammonium chloride
1
201620168.0medium000010
vincristine
1
acetate 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		2007200717.0low000100
physostigmine
2
carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		2007200916.0low000200
ethinyl estradiol
1
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2007200717.0low000100
promethazine hydrochloride
3
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		2007201613.3medium000210
uridine
1
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		201620168.0low000010
bromodeoxyuridine
1
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		2007200717.0low000100
levodopa
1
amino 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		2007200717.0low000100
tolazoline hydrochloride
1
benzenes201620168.0low000010
phenylethyl alcohol
1
benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite		202320231.0low000001
acetylcholine chloride
1
quaternary ammonium salt201620168.0low000010
methoxamine hydrochloride
3
dimethoxybenzene2007201613.3medium000210
adenosine monophosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		1992199232.0low001000
papaverine hydrochloride
3
2007201613.3medium000210
bretylium tosylate
3
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		2007201613.3low000210
zoxazolamine
1
benzoxazole202320231.0low000001
berlition
1
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group		2007200717.0low000100
methacholine chloride
2
quaternary ammonium salt2007201612.5low000110
androstenedione
3
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2007201613.3low000210
desoxycorticosterone
1
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
colchicine
2
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2007200916.0low000200
yohimbine hydrochloride
2
2007200916.0low000200
gallamine triethiodide
1
2007200717.0low000100
cycloheximide
2
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		200720239.0low000101
ficusin
1
psoralensplant metabolite202320231.0low000001
egtazic acid
1
diether;
tertiary amino compound;
tetracarboxylic acid		chelator2007200717.0low000100
fluocinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
norethynodrel
1
oxo steroid201620168.0low000010
cycloserine
1
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		2007200717.0low000100
17-alpha-hydroxyprogesterone
3
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		2007201613.3low000210
quinacrine monohydrochloride
2
2007200916.0medium000200
chlorpromazine hydrochloride
3
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		2007201613.3medium000210
tubercidin
1
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		202320231.0low000001
ampicillin
1
beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug201620168.0low000010
cytarabine hydrochloride
2
2007201612.5medium000110
trifluridine
2
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		201620234.5low000011
4-hydroxypropiophenone
1
acetophenones201620168.0low000010
medroxyprogesterone acetate
1
20-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		201620168.0low000010
isopropamide iodide
1
diarylmethane201620168.0low000010
mestranol
1
17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen		201620168.0low000010
tryptophan
2
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2007200916.0low000200
lidocaine hydrochloride
3
hydrochlorideanti-arrhythmia drug;
local anaesthetic		2007201613.3medium000210
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2007200717.0low000100
triamcinolone acetonide
1
11beta-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		201620168.0low000010
dehydrocholic acid
1
12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug201620168.0low000010
methylprednisolone
1
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		201620168.0low000010
rotenone
2
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2007200916.0low000200
9,10-phenanthrenequinone
1
phenanthrenes201620168.0low000010
9,10-anthraquinone
1
anthraquinone202320231.0low000001
salicylanilide
1
benzanilide fungicide;
salicylamides;
salicylanilides		202320231.0low000001
gramine
1
aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist		202320231.0low000001
aminacrine
1
aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen		202320231.0low000001
phenothiazine
1
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		201620168.0low000010
mecoprop
1
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		201620168.0low000010
synephrine
1
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		2007200717.0low000100
2-methyl-4-chlorophenoxyacetic acid
1
chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin		201620168.0low000010
arsanilic acid
1
organoarsonic acid201620168.0low000010
3-aminobenzoic acid
1
aminobenzoic acid201620168.0low000010
methyl gallate
1
gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite		202320231.0low000001
pyridostigmine bromide
2
pyridinium salt2007201612.5low000110
monobenzone
1
benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor		202320231.0low000001
thiodipropionic acid
1
dicarboxylic acid201620168.0low000010
imipramine hydrochloride
3
hydrochlorideantidepressant2007201613.3medium000210
neostigmine bromide
2
bromide salt2007201612.5low000110
edrophonium chloride
2
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		2007201612.5low000110
maltol
1
4-pyranonesmetabolite201620168.0low000010
1-hydroxyanthraquinone
1
monohydroxyanthraquinone1992199232.0low001000
suramin sodium
2
organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		2007200916.0medium000200
pyrazolanthrone
2
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		2007200916.0low000200
cinchophen
1
quinolines201620168.0low000010
methapyrilene hydrochloride
3
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2007201613.3medium000210
phenazopyridine hydrochloride
1
hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic		201620168.0low000010
tetrracaine hydrochloride
2
benzoate ester2007201612.5low000110
chelidamic acid
1
2007200717.0low000100
protocatechualdehyde
1
dihydroxybenzaldehyde201620168.0low000010
20-alpha-dihydroprogesterone
1
20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite		201620168.0low000010
2-chloroadenosine
3
purine nucleoside2007201613.3low000210
diphenhydramine hydrochloride
3
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		2007201613.3low000210
ditiocarb
1
dithiocarbamic acidschelator;
copper chelator		202320231.0low000001
quinestrol
1
17-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
catechin
1
catechinantioxidant;
plant metabolite		202320231.0low000001
tripelennamine hydrochloride
1
201620168.0medium000010
cysteamine hydrochloride
1
2007200717.0low000100
propantheline bromide
3
xanthenes2007201613.3low000210
chlormadinone acetate
1
corticosteroid hormone201620168.0low000010
hydralazine hydrochloride
1
hydrochlorideantihypertensive agent;
vasodilator agent		2007200717.0low000100
ethamivan
2
methoxybenzenes;
phenols		2007201612.5low000110
pargyline hydrochloride
3
2007201613.3medium000210
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		2007200717.0low000100
azacitidine
2
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent200720239.0low000101
orphenadrine hydrochloride
3
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		2007201613.3high000210
fluocinonide
1
organic molecular entity201620168.0low000010
betamethasone
2
11beta-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		2007200916.0low000200
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide
2
2007200916.0low000200
fluorometholone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
cyproterone acetate
2
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		2007200916.0low000200
xanthinol niacinate
1
201620168.0low000010
glycyrrhetinic acid
1
cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite		201620168.0low000010
lucanthone
1
thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug		202320231.0low000001
cepharanthine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
aloe emodin
1
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		202320231.0low000001
chrysophanic acid
1
dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite		202320231.0low000001
emetine
1
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		202320231.0low000001
osthol
1
botanical anti-fungal agent;
coumarins		metabolite202320231.0low000001
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2007200717.0low000100
flavanone
1
flavanones202320231.0low000001
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2007200717.0low000100
phloretic acid
1
hydroxy monocarboxylic acidplant metabolite202320231.0low000001
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite202320231.0low000001
podophyllotoxin
3
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007201613.3low000210
medroxyprogesterone
1
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
physcione
1
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		1992199232.0low001000
tetrahydrozoline hydrochloride
3
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007201613.3medium000210
dequalinium chloride
2
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		2007200916.0low000200
angelicin
1
furanocoumarin202320231.0low000001
1,2-naphthoquinone
1
1,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent		201620168.0low000010
flavone
1
flavonesmetabolite;
nematicide		1992199232.0low001000
diperodon
1
carbamate ester202320231.0low000001
decamethonium dibromide
2
2007200916.0low000200
amitriptyline hydrochloride
3
organic tricyclic compound2007201613.3medium000210
naphazoline hydrochloride
3
organic molecular entity2007201613.3medium000210
4,4'-bipyridyl
1
bipyridine201620168.0low000010
doxylamine succinate
3
organic molecular entity2007201613.3low000210
carbamylhydrazine monohydrochloride
1
organic molecular entity2007200717.0medium000100
monoacetyldapsone
1
acetamides;
anilide;
secondary carboxamide;
sulfone		201620168.0low000010
formestane
3
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2007201613.3low000210
chlorotrianisene
1
chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen		201620168.0low000010
aminacrine
1
201620168.0medium000010
isoxsuprine hydrochloride
1
alkylbenzene201620168.0low000010
debrisoquin sulfate
1
organic sulfate salt2007200717.0low000100
betaine hydrochloride
1
2007200717.0low000100
bethanechol chloride
2
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist2007201612.5low000110
megestrol acetate
2
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		201620234.5low000011
2-hydroxyacetanilide
1
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		201620168.0low000010
acetylcysteine
3
acetylcysteine;
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		200720238.7low000111
clopamide
1
sulfonamide201620168.0low000010
phosmet
1
organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		201620168.0low000010
hydroxychloroquine sulfate
1
202320231.0low000001
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
Mecamylamine hydrochloride
2
monoterpenoid2007200916.0high000200
vinblastine
1
2007200717.0low000100
malononitrile dimer
1
201620168.0low000010
diphenyl disulfide
1
benzenes201620168.0low000010
cyproheptadine hydrochloride (anhydrous)
3
hydrochloride2007201613.3medium000210
estradiol valerate
1
steroid ester201620168.0low000010
adenosine 5'-tetraphosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate		1992199232.0low001000
ethambutol
1
ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic		202320231.0low000001
metformin hydrochloride
1
hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic		202320231.0low000001
tetramethylpyrazine
1
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
2,2'-dipyridylamine
1
201620168.0low000010
antimycin a
1
benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide		202320231.0low000001
pregnenolone carbonitrile
1
aliphatic nitrile201620168.0low000010
flurandrenolone
1
21-hydroxy steroid201620168.0low000010
diethylcarbamazine citrate
1
piperazinecarboxamide201620168.0low000010
5,5'-dimethyl-2,2'-bipyridyl
1
bipyridines202320231.0medium000001
dichlorobenzyl alcohol
1
benzyl alcohols;
dichlorobenzene		antiseptic drug202320231.0low000001
azacyclonol
1
diarylmethane201620168.0low000010
5 alpha-androstane-3 alpha,17 beta-diol
2
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		2007201612.5medium000110
guaiacoxyacetic acid
1
201620168.0medium000010
methylene diphosphonate
1
1,1-bis(phosphonic acid)bone density conservation agent;
chelator		201620168.0low000010
amiloride hydrochloride, anhydrous
1
hydrochloridediuretic;
sodium channel blocker		201620168.0low000010
pimozide
3
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2007201613.3low000210
azetidyl-2-carboxylic acid
1
azetidine-2-carboxylic acid2007200717.0low000100
flumethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
azaribine
1
acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug		201620168.0low000010
hydrocortisone hemisuccinate
1
dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone		201620168.0low000010
muscarine
1
2007200717.0medium000100
antazoline hydrochloride
3
2007201613.3medium000210
mebeverine hydrochloride
1
201620168.0low000010
stavudine
2
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		201620234.5low000011
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2007200717.0low000100
clidinium bromide
1
201620168.0low000010
meclofenoxate hydrochloride
1
2007200717.0low000100
diloxanide furoate
1
carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug		201620168.0low000010
nitroxoline
1
C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent		201620168.0low000010
dideoxyadenosine
1
adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor		202320231.0low000001
clonidine hydrochloride
1
dichlorobenzene2007200717.0low000100
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		201620168.0low000010
beclomethasone
3
11beta-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		2007201613.3medium000210
buthionine sulfoximine
2
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200916.0low000200
mexiletine hydrochloride
2
hydrochlorideanti-arrhythmia drug2007200916.0low000200
vidarabine
1
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		202320231.0low000001
diadenosine tetraphosphate
1
diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite		1992199232.0low001000
alverine citrate
1
citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist		201620168.0low000010
cyclogyl
1
201620168.0low000010
cyclophosphamide
1
hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent		2007200717.0low000100
suxamethonium chloride
1
chloride saltmuscle relaxant2007200717.0low000100
cyclobenzaprine hydrochloride
2
hydrochlorideantidepressant;
muscle relaxant		2007200916.0low000200
n-methylaspartate
1
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent2007200717.0low000100
3-deazaadenosine
3
2007202311.0low000201
metoclopramide hydrochloride
3
2007201613.3high000210
isoetharine mesylate
3
2007201613.3high000210
zalcitabine
2
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		200720239.0low000101
6-nitroindazole
1
201620168.0low000010
propionylpromazine hydrochloride
2
2007200916.0medium000200
camptothecin
2
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2007200916.0low000200
nsc-145,668
1
hydrochlorideantimetabolite;
antineoplastic agent		2007200717.0medium000100
ancitabine
1
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		202320231.0low000001
chloropyramine
1
aminopyridine202320231.0low000001
clodronic acid
1
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		2007200717.0low000100
hydrocortisone-17-butyrate
1
butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen		201620168.0low000010
levamisole
1
6-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		202320231.0low000001
benserazide hydrochloride
3
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007201613.3medium000210
pancuronium bromide
2
bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2007200916.0medium000200
pentamethylmelamine
1
201620168.0low000010
eedq
1
201620168.0low000010
n'-nitrosonornicotine
1
pyridines;
pyrrolidines		202320231.0low000001
tetradecanoylphorbol acetate
2
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		2007200916.0low000200
ornidazole
1
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope		201620168.0low000010
danazol
2
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2007200916.0low000200
tetridamin
1
201620168.0low000010
metergoline
3
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		2007201613.3low000210
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2007200717.0low000100
daunorubicin
1
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		202320231.0low000001
capobenic acid
1
benzamides201620168.0low000010
disopyramide phosphate
2
organoammonium phosphate2007200916.0medium000200
2-bromoergocryptine mesylate
1
methanesulfonate saltantiparkinson drug2009200915.0medium000100
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		2007200717.0low000100
ergocristine
1
ergot alkaloid2007200717.0low000100
triamcinolone
1
11beta-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		2007200717.0low000100
thymolphthalein
1
terpene lactone201620168.0low000010
clobetasol propionate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug201620168.0low000010
frentizole
1
201620168.0low000010
eterobarb
1
barbiturates201620168.0low000010
oxcarbazepine
1
cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen		201620168.0low000010
moricizine hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
zidovudine
3
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		200720238.7low000111
proroxan hydrochloride
1
201620168.0medium000010
paclitaxel
2
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2007200916.0low000200
etomidate
1
imidazoles201620168.0low000010
buspirone hydrochloride
3
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		2007201613.3medium000210
etoposide
2
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2007200916.0low000200
propafenone hydrochloride
3
hydrochlorideanti-arrhythmia drug2007201613.3medium000210
etazolate hydrochloride
2
2007200916.0medium000200
butaclamol
1
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist2007200717.0low000100
ribavirin
3
1-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		2007202311.0low000201
carbidopa
2
catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200916.0medium000200
cephradine
1
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2007200717.0low000100
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2007200717.0low000100
pyridoxal phosphate
1
pyridinecarbaldehyde202320231.0medium000001
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201620168.0low000010
sq-11725
1
201620168.0low000010
lonidamine
1
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		2007200717.0low000100
dexibuprofen
1
ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
picobenzide
1
201620168.0low000010
quisqualic acid
1
non-proteinogenic alpha-amino acid2007200717.0low000100
pirfenidone
1
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
flecainide acetate
3
acetate saltanti-arrhythmia drug2007201613.3high000210
nicardipine hydrochloride
3
dihydropyridinegeroprotector2007201613.3medium000210
triadimenol
1
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		201620168.0low000010
nitazoxanide
1
benzamides;
carboxylic ester		202320231.0low000001
idarubicin
2
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2007200916.0low000200
captopril
3
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		200720238.7low000111
staurosporine
1
indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector		1992199232.0low001000
terazosin hydrochloride anhydrous
3
2007201613.3medium000210
oltipraz
1
1,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug		202320231.0low000001
pergolide mesylate
3
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		2007201613.3medium000210
ranitidine hydrochloride
1
2007200717.0medium000100
colforsin
1
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		2007200717.0low000100
cerm-1978
1
hydrochloride201620168.0low000010
fiacitabine
1
202320231.0low000001
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2007200717.0low000100
alo 2145
1
hydrochloridealpha-adrenergic agonist;
antiglaucoma drug		2007200717.0medium000100
dazoxiben hydrochloride
1
201620168.0medium000010
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		201620168.0low000010
enoximone
1
aromatic ketone2007200717.0low000100
atomoxetine
2
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		2007200916.0low000200
raloxifene hydrochloride
2
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2007200916.0low000200
mifepristone
3
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2007201613.3low000210
quinpirole hydrochloride
1
2007200717.0low000100
imazodan
1
2007200717.0low000100
salmeterol xinafoate
1
naphthoic acid2009200915.0low000100
ranolazine
1
aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol		202320231.0low000001
brequinar
1
biphenyls;
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		202320231.0low000001
finasteride
1
3-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor		2009200915.0low000100
imiquimod
1
imidazoquinolineantineoplastic agent;
interferon inducer		202320231.0low000001
adefovir
1
6-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent		202320231.0low000001
cidofovir anhydrous
1
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		202320231.0low000001
mibefradil dihydrochloride
2
2007200916.0medium000200
eliprodil
1
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		2009200915.0low000100
celgosivir
1
202320231.0low000001
gemcitabine
1
organofluorine 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		202320231.0low000001
lamivudine
1
monothioacetal;
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		202320231.0low000001
aptiganel hydrochloride
2
2007200916.0medium000200
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
zanamivir
1
guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor		202320231.0low000001
adefovir dipivoxil
1
6-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug		202320231.0low000001
emtricitabine
1
monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
adenosine
1
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		2007200717.0low000100
phenelzine sulfate
2
organic molecular entity2007200916.0low000200
octyl gallate
1
gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite		202320231.0low000001
tobramycin sulfate
1
201620168.0medium000010
benzylaminopurine
1
6-aminopurinescytokinin;
plant metabolite		201620168.0low000010
fluoxetine hydrochloride
3
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		2007201613.3medium000210
propranolol hydrochloride
2
hydrochloride2007200916.0low000200
bupropion hydrochloride
2
aromatic ketone2007200916.0low000200
diltiazem hydrochloride
2
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		2007201612.5low000110
trazodone hydrochloride
3
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2007201613.3low000210
verapamil hydrochloride
3
2007201613.3low000210
doxazosin mesylate
3
methanesulfonate saltgeroprotector2007201613.3medium000210
terfenadine
2
diarylmethane2007200916.0medium000200
sertraline hydrochloride
1
hydrochlorideantidepressant;
serotonin uptake inhibitor		2009200915.0low000100
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
nelfinavir
1
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		202320231.0low000001
amantadine hydrochloride
3
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		2007201613.3medium000210
mevastatin
1
2-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		2007200717.0low000100
chloroquine diphosphate
2
2007200916.0low000200
norharman
1
beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite		201620168.0low000010
betulinic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite		202320231.0low000001
arctigenin
1
lignan202320231.0low000001
baicalin
1
dihydroxyflavone;
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		202320231.0low000001
plerixafor
1
azacycloalkane;
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		202320231.0low000001
amprenavir
1
carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor		202320231.0low000001
oseltamivir
1
acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic		202320231.0low000001
epigallocatechin gallate
1
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
1
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		202320231.0low000001
cephalotaxine
1
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound		202320231.0medium000001
dobutamine hydrochloride
2
hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2007200916.0medium000200
desipramine hydrochloride
4
hydrochloridedrug allergen2007202310.2medium000211
mefloquine hydrochloride
1
hydrochloride202320231.0low000001
ticlopidine hydrochloride
1
hydrochloride201620168.0low000010
dopamine hydrochloride
3
catecholamine2007201613.3low000210
proadifen hydrochloride
2
2007200916.0low000200
4-nitrobenzylthioinosine
2
purine nucleoside2007200916.0low000200
sulconazole, mononitrate, (+-)-isomer
1
conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		201620168.0low000010
acetylcholine bromide
1
bromide salt;
quaternary ammonium salt		201620168.0medium000010
aloxistatin
2
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		201620234.5low000011
propazole
1
benzimidazoles202320231.0low000001
metrifudil
1
2007200717.0low000100
rutecarpine
2
beta-carbolines2007200916.0low000200
tryptamide
1
201620168.0low000010
prulifloxacin
1
fluoroquinolone antibiotic;
quinolone antibiotic		202320231.0low000001
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		202320231.0low000001
trihexyphenidyl hydrochloride
3
aralkylamine2007201613.3medium000210
oxyphencyclimine hydrochloride
1
pyrimidines201620168.0low000010
thioridazine hydrochloride
3
hydrochloridefirst generation antipsychotic;
geroprotector		2007201613.3high000210
diphenylpyraline hydrochloride
1
hydrochloridecholinergic antagonist;
H1-receptor antagonist		201620168.0low000010
bergenin
1
trihydroxybenzoic acidmetabolite202320231.0low000001
procainamide hydrochloride
2
hydrochlorideanti-arrhythmia drug2007201612.5medium000110
siquil
3
hydrochlorideanticoronaviral agent2007201613.3medium000210
mepivacaine hydrochloride
1
hydrochloride;
piperidinecarboxamide		local anaesthetic201620168.0low000010
sotalol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist		2007200717.0low000100
oxymetazoline hydrochloride
3
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007201613.3high000210
diphenidol hydrochloride
1
diarylmethane201620168.0medium000010
alprenolol hydrochloride
3
hydrochloride2007201613.3high000210
edoxudin
1
pyrimidine 2'-deoxyribonucleoside201620168.0low000010
2-methoxyestradiol
3
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2007201613.3low000210
6-ketoestradiol
1
201620168.0low000010
17 beta-estradiol hemisuccinate
1
201620168.0medium000010
amizyl
1
201620168.0medium000010
salicylhydroxamic acid
1
hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug		201620168.0low000010
fluphenazine hydrochloride
2
phenothiazinesanticoronaviral agent2007200916.0medium000200
1,7-phenanthroline
1
phenanthroline201620168.0low000010
tryptamine monohydrochloride
2
2007200916.0high000200
3-fluoro-4-hydroxyphenylacetic acid
1
201620168.0medium000010
pinocembrin
1
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		1992199232.0low001000
dyclonine hydrochloride
1
hydrochloridetopical anaesthetic201620168.0low000010
clomipramine hydrochloride
3
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		2007201613.3high000210
amiloride hydrochloride
2
hydratediuretic;
sodium channel blocker		2007200916.0medium000200
prazosin hydrochloride
3
hydrochloride2007201613.3medium000210
mianserin hydrochloride
3
hydrochloridegeroprotector2007201613.3high000210
miconazole nitrate
1
201620168.0low000010
econazole nitrate
1
201620168.0low000010
lomefloxacin hydrochloride
2
hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent		2007200916.0medium000200
fenspiride hydrochloride
2
2007200916.0low000200
nilverm
2
organic molecular entity2007200916.0medium000200
sanguinarine chloride
2
2007200916.0medium000200
ropinirole hydrochloride
2
indoles2007200916.0high000200
zoledronic acid
1
1,1-bis(phosphonic acid);
imidazoles		bone density conservation agent202320231.0low000001
artemisinin
1
organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite		202320231.0low000001
plasmenylserine
1
O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
brinzolamide
1
sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		202320231.0low000001
2,4-dimethoxybenzaldehyde
1
201620168.0medium000010
5-aminovaleric acid hydrochloride
1
2007200717.0low000100
n-acetyltryptamine
1
acetamides;
indoles		2007200717.0low000100
D-serine
1
D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist		2007200717.0low000100
dipropylacetamide
1
fatty amidegeroprotector;
metabolite;
teratogenic agent		202320231.0low000001
dihydroergotamine mesylate
2
methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent		2007200916.0medium000200
oxprenolol hydrochloride
1
202320231.0low000001
enrofloxacin
1
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		201620168.0low000010
ranolazine hydrochloride
2
2007200916.0high000200
clobetasone butyrate
1
organic molecular entity201620168.0low000010
loxapine succinate
3
succinate saltgeroprotector2007201613.3medium000210
guanfacine hydrochloride
3
acetamidesgeroprotector2007201613.3medium000210
pirenzepine dihydrochloride
1
hydrochloride2007200717.0medium000100
labetalol hydrochloride
3
salicylamides2007201613.3medium000210
diflorasone diacetate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
acecainide hydrochloride
2
2007201612.5low000110
loperamide hydrochloride
3
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		2007201613.3medium000210
maprotiline hydrochloride
3
anthracenes2007201613.3medium000210
protoporphyrin ix, disodium salt
1
2007200717.0low000100
opipramol hydrochloride
2
200920238.0medium000101
hydroxyzine dihydrochloride
1
201620168.0medium000010
betamipron
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
moroxydine
1
biguanides202320231.0low000001
secnidazole
1
C-nitro compound;
imidazoles;
secondary alcohol		epitope201620168.0low000010
siguazodan
1
pyridazinone2007200717.0low000100
thioxolone
1
benzoxathioleantiseborrheic202320231.0low000001
3-octadecanamido-2-ethoxypropylphosphocholine
1
2007200717.0low000100
honokiol
1
biphenyls202320231.0low000001
chelerythrine chloride
2
2007200916.0medium000200
nobiletin
1
methoxyflavoneantineoplastic agent;
plant metabolite		202320231.0low000001
lycorine
1
indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor		202320231.0low000001
leupeptin
1
aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor		202320231.0low000001
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
tosyllysine chloromethyl ketone
2
2007200916.0medium000200
5-(n-methyl-n-isobutyl)amiloride
2
2007200916.0low000200
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
2
hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor2007200916.0high000200
amperozide hydrochloride
2
hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist		2007200916.0medium000200
pyrrolidine dithiocarbamic acid
2
2007200916.0high000200
calpeptin
1
amino acid amide202320231.0low000001
ergocornine
1
ergot alkaloid201620168.0low000010
fangchinoline
1
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		202320231.0low000001
agroclavine
1
ergot alkaloid2007200717.0low000100
maslinic acid
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		202320231.0low000001
pramoxine hydrochloride
1
aromatic ether201620168.0low000010
atovaquone
1
hydroxy-1,2-naphthoquinone202320231.0low000001
s-methylisothiourea sulfate
1
2007200717.0medium000100
p-Aminobenzamidine dihydrochloride
2
organic molecular entity2007200916.0high000200
butyrylcholine chloride
1
201620168.0medium000010
1-benzylimidazole
1
201620168.0low000010
benzamidine hydrochloride
1
2007200717.0medium000100
chloropyramine hydrochloride
1
201620168.0low000010
6-aminoindazole
1
indazoles201620168.0medium000010
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2007200717.0low000100
loganin
1
beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
5-aminoindazole
1
201620168.0low000010
methionine sulfoximine
1
L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector		2007200717.0low000100
tretazicar
1
2007200717.0low000100
carbetapentane citrate
2
carbonyl compound2007200916.0medium000200
moexipril
1
peptide202320231.0low000001
phentolamine mesylate
3
2007201613.3medium000210
aucubin
1
organic molecular entitymetabolite202320231.0low000001
mephentermine
2
2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite		2007200916.0medium000200
oxybutynin hydrochloride
3
hydrochloride2007201613.3medium000210
catalpol
1
organic molecular entitymetabolite202320231.0low000001
2-methylhippuric acid
1
N-acylglycinemetabolite201620168.0low000010
nimustine
1
hydrochlorideantineoplastic agent2007200717.0medium000100
cordium
1
hydrate;
hydrochloride		2007200717.0medium000100
L-2-aminoadipic acid
1
2-aminoadipic acidEscherichia coli metabolite;
human metabolite		2007200717.0low000100
prilocaine hydrochloride
3
hydrochloridelocal anaesthetic2007201613.3medium000210
meclizine hydrochloride
1
201620168.0medium000010
lekoptin
1
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile202320231.0low000001
mor-14
1
hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite		2007200717.0low000100
11-hydroxyprogesterone, (11alpha)-isomer
1
11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid		201620168.0low000010
brexanolone
2
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative		2007200916.0low000200
malic acid, (r)-isomer
1
malic acid201620168.0medium000010
21-deoxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite		201620168.0low000010
estrone 3-methyl ether
1
201620168.0low000010
e-250
1
201620168.0medium000010
rac-glycerol 1-monodecanoate
1
rac-1-monoacylglycerol201620168.0low000010
tyrphostin 8
1
phenols2007200717.0medium000100
nipecotic acid amide
1
piperidinecarboxamide201620168.0low000010
phenylisopropyladenosine
1
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		2007200717.0low000100
levcromakalim
1
1-benzopyran201620168.0low000010
hexamethonium chloride
1
2007200717.0low000100
tachistin
1
201620168.0low000010
cortisol octanoate
1
corticosteroid hormone201620168.0medium000010
6-(4-nitrobenzylthio)guanosine
2
2007200916.0low000200
3-aminopropylphosphonic acid
1
phosphonic acids;
primary amino compound;
zwitterion		GABAB receptor agonist2007200717.0low000100
armepavine
1
201620168.0medium000010
5'-n-methylcarboxamideadenosine
1
2007200717.0low000100
3,7-dimethyl-1-propargylxanthine
1
2007200717.0low000100
zpck
2
2007200916.0low000200
n(6)-phenyladenosine
2
purine nucleoside2007201612.5low000110
tetrahydrodeoxycorticosterone
2
21-hydroxy steroid2007200916.0low000200
n-methyladenosine
2
methyladenosine200720239.0low000101
mizoribine
2
imidazolesanticoronaviral agent2007201612.5low000110
1-amino-1,3-dicarboxycyclopentane
1
2007200717.0low000100
u 73122
1
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2007200717.0low000100
alphaxalone
2
corticosteroid hormone2007201612.5low000110
s-nitrosoglutathione
1
glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule		2007200717.0low000100
bicuculline methiodide
1
201620168.0low000010
cp-55,940
2
2007200916.0low000200
vanoxerine
2
hydrochloridedopamine uptake inhibitor2007200916.0low000200
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
1
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker2009200915.0low000100
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
2
beta-carbolines2007200916.0low000200
beta-carboline-3-carboxylic acid ethyl ester
1
beta-carbolines201620168.0low000010
u 69593
2
monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist		2007200916.0low000200
u 78517f
1
2009200915.0low000100
cv 3988
2
2007200916.0low000200
beta-carboline-3-carboxylic acid methyl ester
2
beta-carbolines2007200916.0low000200
sivelestat
1
N-acylglycine;
pivalate ester		202320231.0low000001
methoctramine
2
hydrochloridemuscarinic antagonist2007200916.0low000200
pyronaridine
1
aminoquinoline202320231.0low000001
hypotaurine
1
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
tryptoline
1
beta-carbolines201620168.0low000010
geniposide
1
terpene glycoside202320231.0low000001
dihydrokainate
1
dicarboxylic acid2007200717.0low000100
gabazine
1
2007200717.0medium000100
gamma-fagarine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
cl 218872
1
pyridazines;
ring assembly		2007200717.0low000100
betaxolol hydrochloride
3
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		2007201613.3high000210
catechin
1
hydrategeroprotector2007200717.0medium000100
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
2
hydrobromideserotonergic antagonist2007200916.0high000200
s-methylthiocitrulline
1
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent		2007200717.0low000100
daidzin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite202320231.0low000001
dihydrocapsaicin
1
capsaicinoid2007200717.0low000100
Zearalanone
1
macrolide;
resorcinols		201620168.0low000010
ml 9
1
2007200717.0low000100
parthenolide
2
germacranolide2007200916.0low000200
3',4'-dichlorobenzamil
2
guanidines;
pyrazines		2007200916.0low000200
1-(carboxymethylthio)tetradecane
1
straight-chain fatty acid2007200717.0low000100
sophocarpine
1
202320231.0low000001
2-iodomelatonin
1
acetamides2007200717.0low000100
butethamate citrate
1
201620168.0medium000010
arcaine, sulfate
1
2007200717.0low000100
marimastat
1
hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor		202320231.0low000001
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol
1
piperidines201620168.0low000010
elacridar
1
202320231.0low000001
gr 113808
2
indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist2007200916.0low000200
gallopamil hydrochloride
3
2007201613.3medium000210
gamma-glutamylaminomethylsulfonic acid
1
2007200717.0low000100
buthionine sulfoximine
2
2-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200916.0medium000200
histamine dihydrochloride
1
201620168.0medium000010
sb 204070a
2
2007200916.0low000200
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine
2
(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist		2007200916.0low000200
l 655240
1
methylindole2007200717.0low000100
san 58035
2
2007200916.0low000200
celastrol
1
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		202320231.0low000001
1,3-dimethylbenzimidazoline-2-thione
1
201620168.0medium000010
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
2
leucine derivative201620234.5low000011
mk 912
1
2009200915.0low000100
nnc 711
1
2007200717.0low000100
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide
2
diarylmethane2007200916.0low000200
vadimezan
1
monocarboxylic acid;
xanthones		antineoplastic agent202320231.0low000001
sk&f 86466
1
benzazepine2009200915.0low000100
e 64
3
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2007202311.0low000201
desloratadine
1
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist		201620168.0low000010
azetidine-2,4-dicarboxylic acid
1
2007200717.0low000100
w 7
1
2009200915.0medium000100
4'-amino-6-hydroxyflavone
1
flavones1992199232.0medium001000
pre 084
2
morpholines2007200916.0low000200
methotrexate
2
dicarboxylic 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		2007200916.0low000200
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol
2
2007200916.0low000200
sr 2640
2
quinolines2007200916.0low000200
(hydroxy-2-naphthalenylmethyl)phosphonic acid
1
1992199232.0low001000
ici 204448
1
2007200717.0medium000100
umifenovir
1
indolyl carboxylic acid202320231.0low000001
safinamide
1
amino acid amide202320231.0low000001
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride
1
2007200717.0low000100
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
2
phenylindole2007200916.0low000200
ilomastat
1
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		202320231.0low000001
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine
1
2009200915.0low000100
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan
1
2007200717.0low000100
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine
2
2007200916.0low000200
5'-(sulfonylbenzoyl)adenosine
1
1992199232.0medium001000
l 741626
2
piperidines2007200916.0low000200
nisoxetine hydrochloride
2
2007200916.0medium000200
ng-nitroarginine methyl ester
1
hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor2007200717.0low000100
tilarginine acetate
1
2007200717.0low000100
alpha-guanidinoglutaric acid
1
L-glutamic acid derivative2007200717.0low000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
3
2007201613.3high000210
imidazole-4-acetic acid hydrochloride
1
2007200717.0medium000100
atazanavir
1
carbohydrazideantiviral drug;
HIV protease inhibitor		202320231.0low000001
nsc-141549
2
2007200916.0medium000200
dichloro-1,2-diaminocyclohexane platinum complex
1
201620168.0medium000010
1,4-di(2'-thienyl)-1,4-butadione
1
201620168.0medium000010
2-chloro-2-deoxyglucose
1
2007200717.0medium000100
vx 497
1
202320231.0low000001
bcx 1812
1
3-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor		202320231.0low000001
idazoxan hydrochloride
3
2007201613.3high000210
isoguvacine hydrochloride
1
2007200717.0low000100
8-methoxymethyl-3-isobutyl-1-methylxanthine
1
oxopurine2007200717.0low000100
naproxen
1
methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		202320231.0low000001
methyl 5-aminolevulinate hydrochloride
1
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		201620168.0medium000010
olmesartan
1
biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent		202320231.0low000001
antazoline phosphate
1
201620168.0medium000010
telbivudine
1
pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
celastrol methyl ester
1
carboxylic ester202320231.0low000001
resiquimod
1
imidazoquinoline202320231.0low000001
cyc 202
2
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2007200916.0low000200
Serotonin hydrochloride
1
tryptamines2007200717.0low000100
n-phthaloylglutamic acid
1
L-glutamic acid derivative;
phthalimides		2007200717.0low000100
1,3-dipropyl-7-methylxanthine
1
2007200717.0low000100
ag 3-5
1
C-nitro compound2007200717.0low000100
tanshinone ii a
1
abietane diterpenoid202320231.0low000001
pridinol mesylate
1
201620168.0medium000010
anacardic acid
1
hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite		202320231.0low000001
n-n-propylnorapomorphine
1
aporphine alkaloid2007200717.0low000100
urapidil monohydrochloride
2
2007200916.0medium000200
aminopterin
2
dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen		2007200916.0low000200
azepexole, dihydrochloride
1
2007200717.0low000100
17 alpha-hydroxyprogesterone caproate
1
corticosteroid hormone201620168.0low000010
2,5-dimethoxy-4-iodoamphetamine hydrochloride
1
2007200717.0medium000100
abt 980
2
2007200916.0medium000200
sk&f 75670
2
2007200916.0low000200
atropine
1
201620168.0low000010
esatenolol
1
atenololbeta-adrenergic antagonist2007200717.0low000100
migalastat
1
piperidines202320231.0low000001
nbi 27914
2
dialkylarylamine;
tertiary amino compound		2007200916.0low000200
sb 216763
2
indoles;
maleimides		2007200916.0low000200
erlotinib
1
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		202320231.0low000001
limonin
1
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		202320231.0low000001
dizocilpine
1
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		2009200915.0low000100
(R)-atenolol
1
atenolol2007200717.0low000100
memantine hydrochloride
2
hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		2007200916.0medium000200
4',6-dihydroxyflavone
1
dihydroxyflavone1992199232.0medium001000
scutellarin
1
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor		202320231.0low000001
pefabloc
1
2007200717.0low000100
pongidae
2
2007200916.0high000200
etravirine
1
aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
succinylproline
1
N-acyl-amino acid2007200717.0low000100
sb 205384
2
thienopyridine2007200916.0low000200
5-fluorotryptamine monohydrochloride
1
201620168.0medium000010
chelidonine
1
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		202320231.0low000001
hydrastine
2
isoquinolinesmetabolite2007200916.0low000200
piribedil mesylate
1
201620168.0medium000010
gabaculine hydrochloride
1
2007200717.0medium000100
etiron monohydrobromide
1
2007200717.0medium000100
serc
1
201620168.0medium000010
4-n-butylresorcinol
1
resorcinols202320231.0low000001
procyclidine hydrochloride
1
hydrochloride201620168.0low000010
bmy 7378
1
2007200717.0low000100
vesamicol
1
2007200717.0medium000100
darunavir
1
carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor		202320231.0low000001
dapivirine
1
202320231.0low000001
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
1
macrolide201620168.0medium000010
cp 101,606
1
1999199925.0low001000
cortisone
2
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007201612.5low000110
equilin
1
17-oxo steroid;
3-hydroxy steroid		201620168.0low000010
adrenosterone
1
11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite		201620168.0low000010
gossypol acetic acid
1
201620168.0low000010
4'-hydroxyflavone
1
1992199232.0low001000
epinastine
1
corticosteroid hormone201620168.0low000010
benzatropine methanesulfonate
1
201620168.0medium000010
4',6-dihydroxy-5,7-dimethoxyflavone
1
dihydroxyflavone;
dimethoxyflavone		201620168.0medium000010
2-hydroxyestradiol
1
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		201620168.0low000010
medrysone
1
corticosteroid hormone201620168.0low000010
artisone acetate
1
corticosteroid hormone201620168.0medium000010
vincristine sulfate
2
organic sulfate saltantineoplastic agent;
geroprotector		2007200916.0low000200
nsc 74859
1
amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester		STAT3 inhibitor202320231.0low000001
chondocurine (1beta)-(+-)-isomer
1
aromatic ether201620168.0low000010
n-methylserotonin oxalate salt
1
2007200717.0medium000100
nsc 95397
2
1,4-naphthoquinones2007200916.0low000200
berbamine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		202320231.0low000001
4-methoxyxanthone
1
201620168.0low000010
u-104
1
202320231.0low000001
wortmannin
2
acetate 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		2007200916.0low000200
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
1
amine201620168.0medium000010
3',4',5'-trimethoxyflavone
1
ether;
flavonoids		1992199232.0medium001000
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
1
glycoside202320231.0medium000001
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		202320231.0low000001
ritonavir
1
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		202320231.0low000001
tizoxanide
1
salicylamides202320231.0low000001
lithium chloride
1
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		2007200717.0low000100
canavanine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite		2007200717.0low000100
naringenin
1
(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite		1992199232.0low001000
5-hydroxytryptophan
1
5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite		2007200717.0low000100
ouabain
3
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		2007201613.3low000210
taxifolin
1
taxifolinmetabolite1992199232.0low001000
mandelic acid, (s)-isomer
1
(2S)-2-hydroxy monocarboxylic acid;
mandelic acid		201620168.0medium000010
tosylphenylalanyl chloromethyl ketone
2
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		2007201612.5low000110
monoiodotyrosine
1
amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite		2007200717.0low000100
nitroarginine
1
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
willardiine
1
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
cortodoxone
3
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007201613.3low000210
arbutin
1
beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite		202320231.0low000001
quinidine
1
cinchona 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		202320231.0low000001
conessine
1
steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite		202320231.0low000001
saquinavir
1
L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor		202320231.0low000001
abacavir
1
2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
acebutolol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		201620168.0low000010
amiodarone hydrochloride
3
aromatic ketone2007201613.3medium000210
dicyclomine hydrochloride
3
hydrochlorideantispasmodic drug;
muscarinic antagonist		2007201613.3high000210
metyrosine
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor		2007200717.0low000100
nortriptyline hydrochloride
3
organic tricyclic compoundgeroprotector2007201613.3medium000210
paromomycin sulfate
1
2007200717.0medium000100
linezolid
1
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		202320231.0low000001
cephaelin
1
pyridoisoquinoline202320231.0low000001
(-)-usnic acid
1
usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor202320231.0medium000001
Dubinidine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2007200717.0low000100
cyclopamine
1
piperidinesglioma-associated oncogene inhibitor2007200717.0low000100
acetylleucyl-leucyl-norleucinal
1
aldehyde;
tripeptide		cysteine protease inhibitor202320231.0low000001
s-(4-azidophenacyl)glutathione
1
peptide2007200717.0low000100
hydroxylamine hydrochloride
2
organic molecular entity2007200916.0high000200
sb 228357
2
indolyl carboxylic acid2007200916.0high000200
3,5-dihydroxyphenylglycine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols		2007200717.0low000100
actinonin
2
2007200916.0low000200
difluprednate
1
butyrate ester;
corticosteroid hormone		201620168.0low000010
dironyl
1
organic molecular entity201620168.0low000010
vinpocetine
3
alkaloidgeroprotector2007201613.3low000210
amcinonide
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug201620168.0low000010
flumethasone pivalate
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
dihydroergocristine monomesylate
3
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2007201613.3high000210
tretinoin
3
retinoic 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		2007201613.3low000210
resveratrol
4
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2007202310.2low000211
oleic acid
1
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		2007200717.0low000100
tacrolimus
1
macrolide lactambacterial metabolite;
immunosuppressive agent		202320231.0low000001
ferulic acid
1
ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite		1992199232.0low001000
thapsigargin
2
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2007200916.0low000200
brivudine
1
2007200717.0low000100
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
2
carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent		2007200916.0low000200
lycopene
1
acyclic caroteneantioxidant;
plant metabolite		202320231.0low000001
zithromax
1
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic		202320231.0low000001
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
1
2007200717.0medium000100
adenosine-5'-(n-ethylcarboxamide)
2
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2007201612.5low000110
6-bromoindirubin-3'-oxime
1
2009200915.0low000100
histidyl-proline diketopiperazine
1
dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite		201620168.0medium000010
roflumilast
1
aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor		202320231.0low000001
L-cycloserine
2
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		200720239.0low000101
h 89
2
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide200920238.0low000101
afimoxifene
1
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		201620168.0low000010
1,4-dideoxy-1,4-imino-d-arabinitol
1
2007200717.0low000100
ketoconazole
1
cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine201620168.0low000010
purvalanol a
1
purvalanol2007200717.0low000100
bevirimat
1
dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite		202320231.0low000001
aphidicolin
1
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		201620168.0low000010
azaserine
1
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		201620168.0low000010
melphalan
2
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200916.0low000200
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
1
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor202320231.0low000001
tenofovir
1
nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
posaconazole
1
aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug202320231.0low000001
gw 257406x
1
202320231.0low000001
shikonin
1
hydroxy-1,4-naphthoquinone202320231.0low000001
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
1
tropane alkaloid202320231.0medium000001
cmx 001
1
202320231.0low000001
amd 8664
1
202320231.0medium000001
bay 41-4109
1
202320231.0low000001
bay 57-1293
1
202320231.0low000001
maltitol
1
alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent		201620168.0low000010
2'-c-methylcytidine
1
202320231.0low000001
isoxanthohumol
1
flavanones202320231.0low000001
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide
1
aromatic ether202320231.0low000001
mecarbinate
1
202320231.0low000001
trans-4-coumaric acid
1
4-coumaric acidfood component;
mouse metabolite;
plant metabolite		1992199232.0low001000
chalcone
1
chalconeEC 3.2.1.1 (alpha-amylase) inhibitor201620168.0low000010
thermospine
1
201620168.0medium000010
isoliquiritigenin
2
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		2007200916.0low000200
dibenzylidene acetone
1
201620168.0low000010
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2007200717.0low000100
gw9662
2
benzamides2007200916.0low000200
calmidazolium
2
organic chloride saltapoptosis inducer;
calmodulin antagonist		2007200916.0medium000200
acetyl-aspartyl-glutamyl-valyl-aspartal
1
tetrapeptideprotease inhibitor202320231.0low000001
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone
1
cycloheptafuran201620168.0medium000010
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
1
2-methoxyethyl ester;
benzofurans		201620168.0medium000010
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid
1
indolyl carboxylic acid201620168.0medium000010
haplamine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
tropisetron hydrochloride
2
2007200916.0high000200
Reactive blue 2
1
anthraquinone2007200717.0medium000100
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
1
dichlorobenzene2007200717.0low000100
quinidine sulfate
2
2007200916.0high000200
octotropine methylbromide
2
201620234.5low000011
diethylstilbestrol dipropionate
1
201620168.0low000010
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol
1
alkylbenzene201620168.0low000010
glycerylphosphorylcholine
1
phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite		201620168.0medium000010
n-methylscopolamine nitrate
1
201620168.0medium000010
propylthiouracil
1
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		201620168.0low000010
phenytoin sodium
1
201620168.0medium000010
nsc 4347
1
201620168.0low000010
ipratropium bromide anhydrous
2
2007201612.5medium000110
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
1
benzamides201620168.0medium000010
methamilane methiodide
2
2007201612.5high000110
physostigmine salicylate
1
azaheterocycle salicylate salt;
salicylates		201620168.0low000010
pilocarpine nitrate
2
2007201612.5medium000110
r 59949
2
diarylmethane2007200916.0low000200
n(6)-cyclopentyladenosine
3
2007201613.3low000210
methylatropine nitrate
2
2007201612.5medium000110
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid
1
coumarins201620168.0medium000010
prothionamide
1
pyridines201620168.0low000010
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
1
benzoxazine201620168.0medium000010
dienestrol
1
201620168.0low000010
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		202320231.0low000001
methylthiouracil
1
pyrimidone201620168.0low000010
sb 366791
2
2007200916.0low000200
ag-213
4
1992200920.2low001300
3,3',4,5'-tetrahydroxystilbene
3
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		1992200921.3low001200
bemesetron
2
2007200916.0low000200
7,8,3'-trihydroxyflavone
1
1992199232.0low001000
jrf 12
1
202320231.0low000001
4-methoxy-N-(3-pyridinylmethyl)benzamide
1
benzamides201620168.0medium000010
(S)-(-)-pindolol
1
pindolol2007200717.0low000100
levosulpiride
1
sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
3,4'-dihydroxyflavone
1
202320231.0medium000001
(2S)-7-hydroxyflavanone
1
7-hydroxyflavanone1992199232.0medium001000
caffeic acid
3
caffeic acidgeroprotector;
mouse metabolite		1992201619.0low001110
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester
1
coumarins201620168.0medium000010
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide
1
phthalimides201620168.0medium000010
4-fluorophenyl-L-alanine
2
4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid		2007200916.0medium000200
3-(3,4-dimethoxyphenyl)propenoic acid
1
methoxycinnamic acid202320231.0low000001
phenylthiazolylthiourea
1
2009200915.0low000100
isoferulic acid
1
ferulic acidsantioxidant;
biomarker;
metabolite		202320231.0low000001
urocanic acid
2
urocanic acidhuman metabolite2007201612.5low000110
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
cyclouridine
1
202320231.0medium000001
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)
1
benzimidazoles2009200915.0low000100
cotinine
2
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2007200916.0low000200
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
1
oxadiazole;
ring assembly		201620168.0medium000010
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
1
psoralens201620168.0medium000010
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
1
pyrimidotriazine201620168.0medium000010
thiothixene
1
N-methylpiperazineanticoronaviral agent201620168.0low000010
curcumin
2
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		201620234.5low000011
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
1
pyridochromene201620168.0medium000010
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
1
chromones201620168.0medium000010
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid
1
coumarins201620168.0medium000010
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one
1
coumarins201620168.0medium000010
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone
1
quinolines201620168.0medium000010
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
1
coumarins201620168.0medium000010
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide
1
aromatic amide;
furans		201620168.0medium000010
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
1
quinolines201620168.0medium000010
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide
1
quinolines201620168.0medium000010
cinnarizine
3
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		2007201613.3low000210
sulindac
1
monocarboxylic 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		2007200717.0low000100
zucapsaicin
1
methoxybenzenes;
phenols		202320231.0low000001
cysteine sulfinic acid
1
organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite		2007200717.0low000100
nbd 556
1
202320231.0low000001
d-ap7
1
2007200717.0medium000100
tg 003
1
2009200915.0low000100
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
1
benzothiazoles201620168.0medium000010
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
1
dimethoxybenzene201620168.0medium000010
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester
1
flavones;
tert-butyl ester		201620168.0medium000010
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		202320231.0low000001
ethylenethiourea
1
imidazolidines201620168.0low000010
(1R,2S)-tranylcypromine hydrochloride
2
hydrochloride2007200916.0low000200
tacrine hydrochloride
3
2007201613.3low000210
4-bromotetramisole, oxalate (1:1), salt(s)-isomer
2
2007200916.0high000200
p-aminosalicylic acid monosodium salt
1
organic molecular entity201620168.0low000010
digoxin
1
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		201620168.0low000010
3-hydroxybenzylhydrazine hydrochloride
2
2007200916.0high000200
4,5,6,7-tetrachloroindan-1,3-dione
1
202320231.0medium000001
1-(3-chlorophenyl)biguanide hydrochloride
2
2007200916.0high000200
mecysteine hydrochloride
1
alpha-amino acid ester201620168.0medium000010
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer
1
2007200717.0medium000100
capsazepine
2
benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist2007200916.0low000200
diphenyleneiodium chloride
2
organic chloride saltEC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist		2007200916.0medium000200
azetidine-2,4-dicarboxylic acid, (cis)-isomer
1
2007200717.0medium000100
tamoxifen citrate
2
citrate saltangiogenesis inhibitor;
anticoronaviral agent		2007200916.0low000200
pimagedine hydrochloride
1
2007200717.0medium000100
Betaine Aldehyde Chloride
1
quaternary ammonium salt2007200717.0medium000100
ethionamide
1
pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug		201620168.0low000010
srpin340
1
202320231.0low000001
pr-619
1
202320231.0medium000001
p5091
1
202320231.0low000001
2-(2-furanyl)-4-thiazolidinecarboxylic acid
1
organonitrogen compound;
organooxygen compound		201620168.0medium000010
dihydrosamidine
1
201620168.0medium000010
N-(2-methoxycyclohexyl)-3,4-dimethylaniline
1
methylbenzene201620168.0medium000010
eskazine
3
2007201613.3high000210
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene
1
C-nitro compound;
sulfonamide;
toluenes		bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector		2009200915.0low000100
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione
1
methylbenzene201620168.0medium000010
monastrol
1
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		2007200717.0low000100
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester
1
isopropyl ester;
piperazines		201620168.0medium000010
zeranol
1
macrolide201620168.0low000010
trovirdine
1
202320231.0low000001
fti 277
1
202320231.0medium000001
u 0126
3
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2007202311.0low000201
vicriviroc
1
(trifluoromethyl)benzenes202320231.0low000001
telaprevir
1
cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic		202320231.0low000001
4-diphenylacetoxy-n-methylpiperidine methiodide
2
iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist		2007200916.0low000200
monooctanoin
1
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol		201620168.0low000010
orlistat
1
beta-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		202320231.0low000001
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2009200915.0low000100
1-(4-hydroxybenzyl)imidazole-2-thiol
1
2007200717.0low000100
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
2
2007200916.0low000200
bp 897
2
naphthalenecarboxamide2007200916.0low000200
trequinsin hydrochloride
2
2007200916.0medium000200
dasatinib
1
1,3-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		202320231.0low000001
neboglamine
1
2007200717.0low000100
trimethoprim
1
201620168.0medium000010
yya-021
1
202320231.0medium000001
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid
1
peptide201620168.0medium000010
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
1
dimethoxybenzene201620168.0medium000010
3-acetyl-6-methyl-1H-quinolin-4-one
1
quinolines201620168.0medium000010
benzatropine methanesulfonate
2
2007200916.0high000200
sb 203186
1
indolyl carboxylic acid2007200717.0medium000100
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea
2
1,2-thiazoles;
indoles;
ureas		receptor modulator;
serotonergic antagonist		2007200916.0low000200
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone
1
aryl sulfide201620168.0medium000010
gw 7647
2
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist2007200916.0low000200
ro 41-0960
2
2007200916.0low000200
cgp 13501
1
alkylbenzene2007200717.0low000100
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
2
2007200916.0low000200
l 663536
1
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2009200915.0low000100
brl 15572
2
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		2007200916.0medium000200
mrs 1523
2
2007200916.0low000200
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
1
imidazolidines201620168.0medium000010
Anthraniloyllycoctonine
1
diterpene alkaloid201620168.0medium000010
or486
1
2007200717.0low000100
fg 9041
2
quinoxaline derivative2007200916.0low000200
iik7
1
2007200717.0low000100
sb 415286
3
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		2007202311.0low000201
dm 235
2
2007200916.0low000200
jhw 015
2
indolecarboxamide2007200916.0low000200
bw 723c86
2
tryptamines2007200916.0medium000200
sc 560
2
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		2007200916.0low000200
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
1
aromatic amide201620168.0medium000010
sc-19220
1
aromatic ether2007200717.0low000100
le 300
2
indoles2007200916.0low000200
sitagliptin
1
triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic		202320231.0low000001
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1
harmala alkaloid201620168.0medium000010
ly 367265
2
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor		2007200916.0low000200
diclofenac sodium
2
organic sodium salt2007201612.5low000110
cgp 7930
2
alkylbenzene2007200916.0low000200
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
2
phenols;
pyrazoles		estrogen receptor agonist2007200916.0low000200
sib 1757
2
2007200916.0low000200
tak-220
1
202320231.0medium000001
jtk-303
1
aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor202320231.0low000001
nbd 557
1
202320231.0medium000001
sphingosine
1
sphing-4-eninehuman metabolite;
mouse metabolite		2007200717.0low000100
quercetin
1
7-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		1992199232.0low001000
biochanin a
2
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		1992201620.0low001010
prostaglandin b1
1
prostaglandins Bhuman metabolite201620168.0low000010
acacetin
1
dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite		1992199232.0low001000
apigenin
3
trihydroxyflavoneantineoplastic agent;
metabolite		1992200921.3low001200
luteolin
2
3'-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		1992200724.5low001100
daphnetin
2
hydroxycoumarin2007200916.0low000200
5'-o-caffeoylquinic acid
1
cinnamate ester;
cyclitol carboxylic acid		plant metabolite202320231.0medium000001
luteolin-7-glucoside
1
beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite		202320231.0low000001
cyclosporine
1
202320231.0low000001
kaempferol
1
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		1992199232.0low001000
prostaglandin f1
1
prostaglandins Falphahuman metabolite201620168.0low000010
harmine
1
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		202320231.0low000001
genistein
2
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		1992200724.5low001100
pulmicort
3
11beta-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		2007201613.3low000210
eprosartan
1
dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202320231.0low000001
timolol maleate
3
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2007201613.3high000210
brompheniramine maleate
3
maleate saltanti-allergic agent2007201613.3medium000210
chlorpheniramine maleate
2
organic molecular entity2007200916.0low000200
clemastine fumarate
2
fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist		2007200916.0medium000200
methylergonovine maleate
2
ergoline alkaloidgeroprotector2007200916.0medium000200
mycophenolate mofetil
1
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		202320231.0low000001
entacapone
1
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		202320231.0low000001
astaxanthine
2
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		2007200916.0low000200
genistin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside1992199232.0low001000
harman
2
harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		2007200916.0low000200
zearalenone
1
macrolide;
resorcinols		fungal metabolite;
mycoestrogen		201620168.0low000010
amentoflavone
1
biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite		202320231.0low000001
baicalein
1
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		202320231.0low000001
chrysin
1
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		1992199232.0low001000
fisetin
1
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		1992199232.0low001000
galangin
1
7-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite		1992199232.0low001000
genkwanin
2
dihydroxyflavone;
monomethoxyflavone		metabolite1992202316.5low001001
hyperoside
1
beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite		202320231.0low000001
mangostin
1
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		202320231.0low000001
3-methylquercetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		202320231.0low000001
kaempferide
1
7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite		202320231.0low000001
morin
1
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		2007200717.0low000100
myricetin
3
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		1992200921.3low001200
orientin
1
3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite		202320231.0low000001
scutellarein
1
tetrahydroxyflavonemetabolite202320231.0low000001
daidzein
2
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		1992200724.5low001100
trans-2,3',4,5'-tetrahydroxystilbene
1
stilbenoid202320231.0low000001
polydatin
1
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator		202320231.0low000001
chicoric acid
1
organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor		202320231.0low000001
caffeic acid phenethyl ester
2
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2007200916.0low000200
acteoside
1
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite		202320231.0low000001
orobol
1
7-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger		1992199232.0low001000
prunetin
1
7-methoxyisoflavones;
hydroxyisoflavone		anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		1992199232.0low001000
rottlerin
2
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		2007200916.0low000200
flupenthixol
1
flupenthixoldopaminergic antagonist2007200717.0low000100
7-hydroxyflavone
1
hydroxyflavonoid1992199232.0low001000
estriol 17-glucuronide
1
steroid saponin201620168.0medium000010
syringetin
1
3',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor		1992199232.0low001000
4',7-dihydroxyflavone
1
dihydroxyflavonemetabolite1992199232.0low001000
n-oleoyldopamine
2
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist2007200916.0low000200
pheniramine maleate
2
organic molecular entity2007200916.0medium000200
tranilast
3
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		2007201613.3low000210
trimipramine maleate
2
maleate saltantidepressant2007200916.0low000200
4-hydroxyestradiol
1
4-hydroxy steroidmetabolite201620168.0low000010
menatetrenone
1
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		201620168.0low000010
isotretinoin
2
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2007200916.0low000200
xylometazoline hydrochloride
3
2007201613.3medium000210
flunarizine hydrochloride
2
diarylmethane2007200916.0medium000200
ketotifen fumarate
3
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		2007201613.3medium000210
dinoprost tromethamine
1
organic molecular entity201620168.0low000010
cis-flupenthixol dihydrochloride
2
hydrochloridegeroprotector2007200916.0high000200
hydrocortisone valerate
1
cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester		201620168.0low000010
prostaglandin f2 methyl ester
1
prostanoid201620168.0low000010
n-arachidonylglycine
2
fatty amide;
N-acylglycine		2007200916.0low000200
n-oleoylethanolamine
2
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		2007200916.0low000200
2-bromoergocryptine mesylate
1
201620168.0medium000010
cyclosporine
2
homodetic 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		2007200916.0low000200
perhexiline maleate
1
201620168.0low000010
phenoxybenzamine hydrochloride
3
organic molecular entity2007201613.3medium000210
phenylephrine hydrochloride
2
hydrochloride2007201612.5low000110
mepyramine maleate
3
2007201613.3medium000210
dorzolamide
1
sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		202320231.0low000001
ethisterone
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin		201620168.0low000010
nalmefene
1
morphinane alkaloid201620168.0low000010
topiramate
1
cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker		202320231.0low000001
6alpha-hydroxy-17beta-estradiol
1
6alpha-hydroxy steroid201620168.0medium000010
brefeldin a
2
macrolide antibioticPenicillium metabolite2007200916.0low000200
fenretinide
2
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2007200916.0low000200
su 9516
1
2009200915.0low000100
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
2
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent		2007200916.0low000200
l-2-(carboxypropyl)glycine
1
2007200717.0low000100
4-aminocrotonic acid
1
2007200717.0low000100
denopamine
1
dimethoxybenzene2007200717.0low000100
desoximetasone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
benzyloxycarbonyl-phe-ala-fluormethylketone
1
202320231.0medium000001
l 655,708
2
2007200916.0low000200
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester
1
carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
cytochalasin b
1
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		201620168.0low000010
ml 10302
1
2009200915.0low000100
ro 41-1049
1
2007200717.0low000100
sb 200646a
2
2007200916.0high000200
seglitide
1
2007200717.0low000100
sib 1893
1
2007200717.0low000100
u-44619
1
201620168.0low000010
su 6656
2
2007200916.0low000200
casticin
1
dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite		202320231.0low000001
n-cinnamoyltyramine
1
cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor		1999199925.0medium001000
fustin
1
1992199232.0low001000
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
1
dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor		202320231.0low000001
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
1
beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor		202320231.0low000001
furazolidone
1
201620168.0low000010
erbstatin
1
1992199232.0low001000
AG-370
1
indoles1991199133.0medium001000
ag 538
4
1991200925.2medium002200
ag 99
4
1991200725.8medium002200
tyrphostin ag-494
5
1991200725.6medium003200
tyrphostin b44
4
1991200920.5high001300
ag 556
4
1991200724.0medium002200
ag-490
7
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		1991200922.9low003400
alpha-cyano-4-hydroxycinnamic acid
1
monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material1992199232.0low001000
ag 30
2
1992200724.5high001100
ag 112
3
1992200921.3medium001200
ag 183
4
1992200920.2medium001300
semaxinib
2
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2007200916.0low000200
nifuroxazide
1
benzoic acids201620168.0low000010
8-(3-chlorostyryl)caffeine
2
monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2007200916.0low000200
bay 11-7085
2
benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor		2007200916.0low000200
bw b70c
1
aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor2009200915.0low000100
methyl 2,5-dihydroxycinnamate
1
cinnamate ester;
hydroquinones;
methyl ester		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite		1992199232.0low001000
molsidomine
2
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		2007201612.5low000110
diamide
1
1,1'-azobis(N,N-dimethylformamide)2007200717.0low000100
pd 151746
1
202320231.0medium000001
psi-tectorigenin
1
1992199232.0low001000
rg 13022
1
201620168.0low000010
styrylquinoline
1
2-styrylquinoline201620168.0low000010
nomifensine maleate
2
2007200916.0low000200
nalbuphine hydrochloride
2
hydrochloride2007200916.0medium000200
lisinopril
1
dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor202320231.0low000001
verteporfin
1
202320231.0low000001
batimastat
1
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		202320231.0low000001
indinavir sulfate
1
dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor202320231.0low000001
kavain
1
racemateglycine receptor antagonist201620168.0low000010
isoalloxazine
1
benzo[g]pteridine-2,4-dione2007200717.0low000100
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide
1
hydroxycinnamic acidmetabolite1999199925.0low001000
enalapril maleate
1
maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		201620168.0low000010
trimebutine maleate salt
1
trihydroxybenzoic acid201620168.0low000010
vinblastine sulfate
3
2007201613.3low000210
vincristine sulfate
1
201620168.0medium000010
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
1
isoflavones201620168.0medium000010
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
1
peptide201620168.0medium000010
n-methylscopolamine bromide
2
2007201612.5medium000110
dextromethorphan hydrobromide
2
hydrate;
hydrobromide		2007200916.0medium000200
naloxone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200717.0low000100
s-trans,trans-farnesylthiosalicylic acid
2
sesquiterpenoid2007200916.0low000200
sulindac sulfone
1
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		2007200717.0low000100
solanesol
1
nonaprenol;
primary alcohol		plant metabolite202320231.0low000001
pepstatin
1
pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor		202320231.0low000001
l 685458
1
carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic		202320231.0low000001
naltrexone hydrochloride
3
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007201613.3high000210
bms 806
1
202320231.0low000001
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
1
202320231.0medium000001
guanabenz acetate
3
dichlorobenzenegeroprotector2007201613.3high000210
nylidrin hydrochloride
3
alkylbenzene2007201613.3high000210
triprolidine hydrochloride anhydrous
3
hydrochlorideH1-receptor antagonist2007201613.3high000210
phentolamine
1
201620168.0low000010
famotidine
1
1,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200717.0low000100
fenoterol
1
hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		2007200717.0low000100
fendiline hydrochloride
1
201620168.0low000010
tiapridex
2
benzamides2007201612.5low000110
quipazine maleate
2
2007200916.0medium000200
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride
1
2007200717.0low000100
nab-365
1
hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		201620168.0medium000010
tulobuterol hydrochloride
3
organic molecular entity2007202311.0medium000201
hp 029
2
2007200916.0medium000200
dithiazanine iodide
1
benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome		201620168.0medium000010
salubrinal
1
aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas		202320231.0low000001
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide
1
2007200717.0medium000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
2
naphthalenes2007200916.0low000200
st 638
1
1992199232.0low001000
tyrphostin ag825
1
aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist2003200321.0low000100
nf023
1
2007200717.0medium000100
nf 449
2
2007200916.0high000200
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
2
2007200916.0medium000200
gr 46611
1
2007200717.0low000100
diacetylmonoxime
1
2007200717.0low000100
sinequan
1
dibenzooxazepine201620168.0low000010
homatropine hydrobromide, (endo-(+-)-isomer)
2
2007200916.0medium000200
buflomedil hydrochloride
1
aromatic ketone201620168.0low000010
vancomycin hydrochloride
1
2007200717.0low000100
moxisylyte hydrochloride
2
monoterpenoid2007201612.5medium000110
dizocilpine maleate
2
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		2007200916.0low000200
beta-aminopropionitrile fumarate
1
2007200717.0low000100
mg 624
1
2009200915.0low000100
flupirtine
2
2007200916.0medium000200
zimelidine hydrochloride
2
2007200916.0high000200
herbimycin
1
1992199232.0medium001000
germacrone
1
germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component		202320231.0low000001
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
1
202320231.0low000001
st 271
1
1992199232.0medium001000
1,2-dihydroxy-4-(nitroethenyl)benzene
1
1992199232.0medium001000
lithospermic acid
1
202320231.0medium000001
laq824
1
202320231.0low000001
ekb 569
1
aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor202320231.0low000001
pregna-4,17-diene-3,16-dione, (17z)-isomer
2
2007200916.0medium000200
su 4312
2
2007200916.0low000200
rilpivirine
1
aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
1
germacranolide202320231.0medium000001
dirithromycin
1
macrolide antibioticprodrug201620168.0low000010
4,5-di-O-caffeoylquinic acid
1
quinic acid202320231.0low000001
indigo carmine
1
202320231.0low000001
gw 1929
2
benzophenones2007200916.0low000200
fluphenazine
1
201620168.0medium000010
homochlorocyclizine monohydrochloride
1
201620168.0medium000010
butoxamine hydrochloride
1
201620168.0medium000010
scopolamine hydrobromide
1
201620168.0low000010
protriptyline hydrochloride
3
hydrochlorideantidepressant2007201613.3medium000210
emetine hydrochloride
1
201620168.0medium000010
n(4)-chloroacetylcytosine arabinoside
1
2007200717.0low000100
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide
2
2007200916.0medium000200
n-(4-amino-2-chlorophenyl)phthalimide
1
2007200717.0low000100
cb 34
1
2007200717.0low000100
b 43
2
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		2007200916.0low000200
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane
1
2007200717.0medium000100
2-(3,3-diphenylpropylamino)acetamide
2
diarylmethane2007200916.0medium000200
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide
1
2007200717.0low000100
gw2974
1
pyridopyrimidine2007200717.0low000100
l 162313
2
2007200916.0low000200
l-165041
1
aromatic ketone2007200717.0low000100
mrs 1754
1
oxopurine2007200717.0low000100
s-nitroso-n-acetylpenicillamine
1
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		2007200717.0low000100
pd 404182
1
2007200717.0medium000100
5-(4-phenylbutoxy)psoralen
1
aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker		2009200915.0low000100
sb 222200
2
quinolines2007200916.0low000200
dantrolene sodium
2
2007200916.0low000200
cr 2945
2
2007200916.0medium000200
sb 218795
2
quinolines2007200916.0low000200
ro 25-6981
1
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		1999199925.0low001000
dihydroceramide
1
N-acylsphinganine2007200717.0medium000100
epinephrine bitartrate
3
2007201613.3high000210
bicuculline methobromide
3
2007201613.3medium000210
6 beta-hydroxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe		201620168.0low000010
butylscopolammonium bromide
2
2007201612.5low000110
androst-16-en-3-one
1
3-oxo steroid;
androstanoid		mammalian metabolite;
pheromone		201620168.0low000010
butaclamol hydrochloride
3
2007201613.3high000210
dihydroouabain
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent		201620168.0medium000010
LSM-6455
1
peptide ergot alkaloid201620168.0medium000010
estradiol 17-acetate
1
steroid ester201620168.0low000010
a 38503
2
2007200916.0medium000200
bisoprolol, fumarate (1:1) salt
1
2009200915.0medium000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide
1
2007200717.0low000100
sk&f 89976-a
1
2007200717.0low000100
cv 1808
2
purine nucleoside2007200916.0low000200
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride
1
2009200915.0medium000100
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		202320231.0low000001
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
1
oligopeptide202320231.0low000001
vildagliptin
1
amino acid amide202320231.0low000001
belinostat
1
hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
hdac-42
1
amidobenzoic acid202320231.0low000001
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
1
pyrrolidines201620168.0medium000010
chlorhexidine
1
biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent		202320231.0low000001
fluvoxamine maleate
2
(trifluoromethyl)benzenes2007200916.0medium000200
gs-7340
1
6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester		antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug		202320231.0low000001
naloxone benzoylhydrazone
2
2007200916.0medium000200
2-methyl-6-(phenylethynyl)pyridine hydrochloride
2
hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist		2007200916.0medium000200
iniparib
1
carbonyl compound;
organohalogen compound		202320231.0low000001
amiprilose
1
2007200717.0medium000100
(R)-fluoxetine hydrochloride
2
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200916.0high000200
ro 8-4304
1
2009200915.0low000100
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide
1
202320231.0low000001
pri-2205
1
202320231.0low000001
mk 0752
1
202320231.0low000001
givinostat
1
carbamate ester202320231.0low000001
pd 144418
1
202320231.0medium000001
bicyclol
1
202320231.0low000001
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		202320231.0low000001
ly 450139
1
peptide202320231.0low000001
desmethylselegiline hydrochloride
1
2007200717.0medium000100
3-morpholino-sydnonimine monohydrochloride
3
2007201613.3high000210
mocetinostat
1
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent		202320231.0low000001
t 1032
2
2007200916.0medium000200
rivaroxaban
1
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
sb 3ct compound
1
aromatic ether202320231.0low000001
qx-314 bromide
1
2007200717.0medium000100
(S)-fluoxetine hydrochloride
2
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200916.0high000200
sr 59230a
2
2007200916.0low000200
u 74389g
2
2007200916.0high000200
ginsenoside rb1
1
ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger		202320231.0low000001
1-(2-methoxyphenyl)piperazine hydrochloride
2
2007200916.0medium000200
y 27632, dihydrochloride, (4(r)-trans)-isomer
1
2007200717.0medium000100
sb 203186
1
2009200915.0medium000100
rucaparib
1
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		202320231.0low000001
noscapine hydrochloride
2
2007200916.0high000200
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-
1
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		202320231.0low000001
a 77636
2
hydrochlorideantiparkinson drug;
dopamine agonist		2007200916.0high000200
cetilistat
1
benzoxazine202320231.0low000001
ym 201636
1
aromatic amide202320231.0low000001
cgp 20712a
2
2007200916.0low000200
linagliptin
1
aminopiperidine;
quinazolines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
azd 6244
1
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		202320231.0low000001
levodopa methyl ester hydrochloride
2
2007200916.0medium000200
odanacatib
1
202320231.0low000001
apilimod
1
202320231.0low000001
apixaban
1
aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
benalfocin hydrochloride
1
2007200717.0medium000100
betrixaban
1
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		202320231.0low000001
edoxaban
1
chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor		202320231.0low000001
saracatinib
1
aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent		202320231.0low000001
lu 19005
2
2007200916.0high000200
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide
1
tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic		202320231.0low000001
benoxathian hydrochloride
2
2007200916.0high000200
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
2
2007200916.0medium000200
n-cyclopropyl adenosine-5'-carboxamide
1
2007200717.0low000100
ly 411575
1
dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
galidesivir
1
202320231.0low000001
PB28
1
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		202320231.0low000001
cefotaxime sodium
2
organic sodium salt2007201612.5medium000110
calpain inhibitor iii
2
2007200916.0low000200
degrasyn
1
202320231.0low000001
epoxomicin
1
morpholines;
tripeptide		proteasome inhibitor202320231.0low000001
bms 477118
1
adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
pha 680632
1
202320231.0low000001
tmc 353121
1
202320231.0medium000001
amd 070
1
aminoquinoline202320231.0low000001
danoprevir
1
202320231.0low000001
bms-626529
1
202320231.0low000001
bms-663068
1
202320231.0low000001
amenamevir
1
202320231.0low000001
vx 765
1
dipeptide202320231.0low000001
Dihydrotanshinone I
1
abietane diterpenoidanticoronaviral agent202320231.0low000001
alogliptin
1
nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		202320231.0low000001
fr 180204
1
pyrazoles;
ring assembly		202320231.0low000001
GR 127935 hydrochloride
2
hydrochlorideserotonergic antagonist2007200916.0high000200
quisinostat
1
indoles202320231.0low000001
mrs 1845
2
2007200916.0medium000200
carfilzomib
1
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		202320231.0low000001
hcv 796
1
202320231.0low000001
resminostat
1
202320231.0low000001
zk 756326
1
aromatic ether202320231.0medium000001
balapiravir
1
202320231.0low000001
trametinib
1
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		202320231.0low000001
deoxyarbutin
1
202320231.0low000001
abexinostat
1
benzofurans202320231.0low000001
silvestrol
1
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		202320231.0low000001
narlaprevir
1
azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas		anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor		202320231.0low000001
teneligliptin
1
amino acid amide202320231.0medium000001
1-aminocyclopropane-1-carboxylic acid hydrochloride
2
2007200916.0high000200
alaproclate hydrochloride
2
2007200916.0high000200
ubenimex
2
peptide2007200916.0medium000200
3-chloroalanine hydrochloride, (l-ala)-isomer
1
2007200717.0medium000100
dsp 4 hydrochloride
2
2007200916.0high000200
calcimycin
2
benzoxazole2007200916.0low000200
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride
2
hydrochloridealpha-adrenergic antagonist2007200916.0medium000200
2-cyclooctyl-2-hydroxyethylamine hydrochloride
2
2007200916.0high000200
cirazoline monohydrochloride
2
2007200916.0high000200
adtn
2
2007200916.0high000200
apocodeine hydrochloride, (r)-isomer
2
2007200916.0high000200
2-hydroxyapomorphine, (r)-isomer
1
2009200915.0medium000100
Dihydro-beta-erythroidine hydrobromide
1
indoles2007200717.0medium000100
lilly 78335
2
2007200916.0high000200
efaroxan hydrochloride
2
2007200916.0medium000200
fenoldopam hydrobromide
2
2007200916.0medium000200
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
2
hydrochloridedopamine uptake inhibitor2007200916.0high000200
guvacine hydrochloride
1
2007200717.0medium000100
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide
2
2007200916.0medium000200
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,
2
organic molecular entity2007200916.0medium000200
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one
2
hydrochloridereceptor modulator;
serotonergic antagonist		2007200916.0medium000200
4-iodoclonidine
2
2007200916.0high000200
dextrothyroxine
1
202320231.0low000001
4-methylpyrazole monohydrochloride
1
2007200717.0low000100
tele-methylhistamine
1
2007200717.0medium000100
alpha-methyltyrosine methyl ester, monohydrochloride
2
2007200916.0high000200
octoclothepine maleate
2
2007200916.0medium000200
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride
2
2007200916.0medium000200
du 24565
2
2007200916.0high000200
2-methoxyidazoxan hydrochloride
2
2007200916.0medium000200
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
1
hydrobromidedopamine agonist;
prodrug		2009200915.0medium000100
ro 25-6981
2
2007200916.0high000200
sk&f 77434
2
hydrobromidedopamine agonist;
prodrug		2007200916.0medium000200
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
2
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		2007200916.0high000200
veliparib
1
benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
pf 03491390
1
202320231.0low000001
demethylcantharidin
2
2007200916.0low000200
alloin
1
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		202320231.0medium000001
atropine sulfate
2
2007200916.0medium000200
1-deoxynojirimycin hydrochloride
1
2007200717.0medium000100
win 62577
2
2007200916.0high000200
mdv 3100
1
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		202320231.0low000001
bms-650032
1
oligopeptide202320231.0low000001
rg 7128
1
202320231.0low000001
oritavancin
1
disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent		202320231.0low000001
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
1
pyrazoles;
ring assembly		201620168.0medium000010
quinine sulfate
2
hydrate2007200916.0medium000200
quercetin
2
2007200916.0medium000200
rv 538, (r-(r*,r*))-isomer
2
2007200916.0high000200
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer
2
2007200916.0high000200
pevonedistat
1
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer		202320231.0low000001
uk 453,061
1
aromatic ether202320231.0low000001
valproate sodium
1
organic sodium saltgeroprotector2007200717.0low000100
N-(2-aminophenyl)-2-pyrazinecarboxamide
1
aromatic amide202320231.0medium000001
tegobuvir
1
202320231.0low000001
pf-429242
1
202320231.0low000001
u 63557a
1
2007200717.0low000100
bucladesine
1
3',5'-cyclic purine nucleotide201620168.0low000010
ampicillin sodium
1
organic sodium salt201620168.0low000010
penicillin g potassium
1
organic potassium salt201620168.0low000010
taurocholic acid, monosodium salt
2
bile salt2007200916.0high000200
cefmetazole sodium
1
organic sodium saltantimicrobial agent2007200717.0low000100
piperacillin sodium
1
organic sodium salt201620168.0low000010
cefoxitin sodium
1
organic molecular entity201620168.0low000010
nafcillin sodium
1
organic sodium salt201620168.0low000010
cefamandole nafate
1
organic sodium saltantibacterial drug201620168.0low000010
sodium diatrizoate
1
organic sodium salt;
organoiodine compound		radioopaque medium201620168.0low000010
fusidate sodium
2
2007200916.0medium000200
estrone sulfate, potassium salt
1
201620168.0medium000010
cephapirin sodium
1
cephalosporin;
organic sodium salt		antibacterial drug2007200717.0low000100
sodium cephalothin
1
organic sodium salt2007200717.0low000100
cefazolin sodium
3
organic sodium salt2007201613.3medium000210
5-hydroxydecanoic acid, monosodium salt
1
2007200717.0medium000100
ro13-9904
1
2007200717.0low000100
phenytoin sodium
1
2007200717.0low000100
naproxen sodium
1
organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
cr 1409
1
2007200717.0low000100
cortisol succinate, sodium salt
2
organic molecular entity2007200916.0low000200
olaparib
1
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		202320231.0low000001
cx 4945
1
202320231.0low000001
pci 34051
1
indolecarboxamide202320231.0low000001
lomibuvir
1
thiophenecarboxylic acid202320231.0low000001
delanzomib
1
C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor		202320231.0low000001
pitavastatin(1-)
1
hydroxy monocarboxylic acid anion202320231.0medium000001
GRL-0617
1
benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor		202320231.0low000001
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
1
carbamate ester202320231.0low000001
niraparib
1
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent		202320231.0low000001
jzl 184
1
benzodioxoles202320231.0low000001
gsk 650394
1
phenylpyridine202320231.0low000001
oprozomib
1
202320231.0low000001
az 960
1
202320231.0low000001
golgicide a
1
diastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor202320231.0low000001
cobicistat
1
1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor202320231.0low000001
bms-790052
1
biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative		antiviral drug;
nonstructural protein 5A inhibitor		202320231.0low000001
ixazomib
1
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		202320231.0low000001
ucph 101
1
202320231.0low000001
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1
aryl sulfide;
thienopyrimidine		202320231.0low000001
baricitinib
1
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		202320231.0low000001
KOM70144
1
acetamides;
benzamides;
naphthalenes;
secondary carboxamide		anticoronaviral agent;
protease inhibitor		202320231.0medium000001
e-52862
1
202320231.0low000001
ly2811376
1
202320231.0low000001
anagliptin
1
amino acid amide202320231.0low000001
gardiquimod
1
202320231.0low000001
grazoprevir
1
aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent		202320231.0low000001
abt-450
1
202320231.0low000001
letermovir
1
202320231.0low000001
sofosbuvir
1
isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester		antiviral drug;
hepatitis C protease inhibitor;
prodrug		202320231.0low000001
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine
1
benzoxazole202320231.0low000001
blz 945
1
202320231.0medium000001
azd3839
1
202320231.0medium000001
pf 3084014
1
202320231.0low000001
unc 0638
1
quinazolines202320231.0low000001
gs-9620
1
202320231.0low000001
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide
1
202320231.0low000001
bms 708163
1
oxadiazole;
ring assembly		202320231.0low000001
jq1 compound
1
carboxylic 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		202320231.0low000001
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone
1
202320231.0low000001
gsk525762a
1
benzodiazepine202320231.0low000001
ML240
1
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent202320231.0low000001
birinapant
1
dipeptide202320231.0low000001
ly2886721
1
202320231.0medium000001
nms-p118
1
202320231.0medium000001
tubastatin a
1
hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor202320231.0low000001
pracinostat
1
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		202320231.0low000001
spautin-1
1
202320231.0low000001
ldn 57444
1
202320231.0low000001
gsk1210151a
1
imidazoquinoline202320231.0low000001
i-bet726
1
202320231.0low000001
acy-1215
1
pyrimidinecarboxylic acid202320231.0low000001
cudc-907
1
202320231.0low000001
oxytetracycline, anhydrous
1
201620168.0low000010
piroxicam
3
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2007201613.3low000210
acenocoumarol
1
C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor		201620168.0low000010
lfm a13
1
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		2007200717.0low000100
mobic
2
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201620234.5low000011
mobiflex
1
heteroaryl 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		201620168.0low000010
tipranavir
1
sulfonamideantiviral drug;
HIV protease inhibitor		202320231.0low000001
l 701324
1
quinolines2007200717.0low000100
tasquinimod
1
202320231.0low000001
hispidin
2
2-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite		2007200916.0low000200
minocycline hydrochloride
2
2007200916.0medium000200
demeclocycline hydrochloride
3
2007201613.3medium000210
gsk1265744
1
difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor202320231.0low000001
abt-267
1
aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor		202320231.0low000001
abt-333
1
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor		202320231.0low000001
rgfp966
1
202320231.0low000001
rg2833
1
202320231.0medium000001
pi-1840
1
202320231.0medium000001
acy-738
1
202320231.0medium000001
pelabresib
1
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		202320231.0low000001
gs-5806
1
202320231.0low000001
doravirine
1
202320231.0low000001
gn6958
1
202320231.0medium000001
vx-787
1
202320231.0low000001
ledipasvir
1
azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound		antiviral drug;
hepatitis C protease inhibitor		202320231.0low000001
gs-5816
1
carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor		202320231.0low000001
g007-lk
1
202320231.0low000001
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide
1
202320231.0low000001
selinexor
1
202320231.0low000001
verdinexor
1
202320231.0low000001
cb-839
1
202320231.0low000001
mk-8742
1
carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent		202320231.0low000001
atglistatin
1
202320231.0low000001
xen445
1
202320231.0medium000001
santacruzamate a
1
organonitrogen compound;
organooxygen compound		202320231.0medium000001
ldc4297
1
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		202320231.0medium000001
enasidenib
1
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		202320231.0low000001
s 8932
1
aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug		202320231.0low000001
entecavir
1
2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		202320231.0low000001
acyclovir
3
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		200720238.7low000111
nu 1025
1
phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
sepiapterin
1
sepiapterin2007200717.0low000100
diguanosine tetraphosphate
1
guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate		Escherichia coli metabolite;
mouse metabolite		1992199232.0low001000
inosine
1
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
isoxanthopterin
1
dihydroxypteridine2007200717.0low000100
clozapine
3
benzodiazepine;
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		2007201613.3low000210
didanosine
1
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor		202320231.0low000001
ganciclovir
3
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		200720238.7low000111
valacyclovir
1
L-valyl esterantiviral drug202320231.0low000001
penciclovir
1
2-aminopurines;
propane-1,3-diols		antiviral drug202320231.0low000001
zaprinast
2
triazolopyrimidines2007200916.0low000200
kf38789
1
201620168.0low000010
allopurinol
2
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2007201612.5low000110
thiolactomycin
1
2007200717.0low000100
4-hydroxyquinazoline
1
quinazolines202320231.0low000001
2,4-diaminohypoxanthine
1
hydroxypyrimidine2007200717.0low000100
tegaserod
1
carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist		202320231.0low000001
norclozapine
1
dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist		202320231.0low000001
pralidoxime iodide
1
organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0medium000010
pemetrexed
1
N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor		202320231.0low000001
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		202320231.0low000001
azilsartan
1
1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent		202320231.0low000001
quazinone
1
2007200717.0low000100
8-bromocyclic gmp, sodium salt
2
organic sodium saltmuscle relaxant;
protein kinase G agonist		2007200916.0high000200
ag-879
2
2007200916.0low000200
hesperadin
1
202320231.0low000001
6-bromoindirubin-3'-acetoxime
1
202320231.0medium000001
pralidoxime chloride
1
organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0low000010
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
1
catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor202320231.0medium000001
XL413
1
benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		202320231.0medium000001
me0328
1
202320231.0medium000001
nvp-tnks656
1
202320231.0medium000001
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Anemia, Fanconi0
1
201620168.0low000010
Benign Neoplasms0
1
2007200717.0low000100
Congenital Zika Syndrome0
1
202020204.0low000010
Contact Dermatitis0
1
201920195.0low000010
Cystic Fibrosis0
1
201620168.0low000010
Cystic Fibrosis of Pancreas0
1
201620168.0low000010
Dermatitis, Contact0
1
201920195.0low000010
Disease Models, Animal0
2
201920204.5medium000020
Fanconi Anemia0
1
201620168.0low000010
Inflammation0
1
2010201014.0low000100
Innate Inflammatory Response0
1
2010201014.0low000100
Itching0
1
201920195.0low000010
Neoplasms0
1
2007200717.0low000100
Pruritus0
1
201920195.0low000010
Sensitivity and Specificity0
1
2007200717.0low000100
Zika Virus Infection0
1
202020204.0low000010

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019