Compounds > sc 560
Page last updated: 2024-08-01 04:36:49

sc 560

Description

SC560 : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1. [CHeBI]

Cross-References

ID SourceID
PubMed CID4306515
CHEMBL ID26915
SCHEMBL ID676921
CHEBI ID76274
MeSH IDM0297326

Synonyms (55)

Synonym
HMS3268E05
BRD-K14767410-001-01-5
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
EU-0101086
sc-560, >=98% (hplc)
lopac-s-2064
NCGC00015933-01
LOPAC0_001086
NCGC00094361-02
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
sc-560
NCGC00094361-01
NCGC00094361-03
sc560
sc 560 ,
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1h-pyrazole
chembl26915 ,
bdbm13065
NCGC00015933-02
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethyl pyrazole
S 2064
chebi:76274 ,
1h-pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-
EC-000.2441
CCG-205163
NCGC00015933-03
NCGC00015933-04
FT-0687854
188817-13-2
S6686
AKOS017343655
SCHEMBL676921
CS-7835
AC-25811
DTXSID00401775
mfcd02179214
J-012170
sr-01000076122
SR-01000076122-2
1h-pyrazole,5-(4- chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-
HY-59105
DS-9468
BCP07005
Q27145845
sc-560 - cas 188817-13-2
EX-A1507
HMS3676J17
HMS3412J17
gtpl10240
AMY40966
HMS3742K09
R10005
A912521
pqugckblvkjmnt-uhfffaoysa-n
C3572

Roles (5)

RoleDescription
cyclooxygenase 1 inhibitorA cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
non-steroidal anti-inflammatory drugAn anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
apoptosis inducerAny substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis modulating agentAn agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.

Drug Classes (4)

ClassDescription
pyrazoles
organofluorine compoundAn organofluorine compound is a compound containing at least one carbon-fluorine bond.
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
monochlorobenzenesAny member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine.

Protein Targets (42)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency44.6684AID2323
endonuclease IVEscherichia coliPotency25.1189AID1708
thioredoxin reductaseRattus norvegicus (Norway rat)Potency37.6858AID588453
ThrombopoietinHomo sapiens (human)Potency5.0119AID917; AID918
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)Homo sapiens (human)Potency5.0119AID914; AID915
thyroid stimulating hormone receptorHomo sapiens (human)Potency19.9526AID926; AID938
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency15.8489AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency31.6228AID504332
Bloom syndrome protein isoform 1Homo sapiens (human)Potency28.1838AID2364; AID2528
peripheral myelin protein 22 isoform 1Homo sapiens (human)Potency84.9214AID1967
cytochrome P450 2C19 precursorHomo sapiens (human)Potency7.9433AID899
cytochrome P450 2C9 precursorHomo sapiens (human)Potency25.1189AID883
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency31.6228AID588834
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency39.8107AID884; AID885
M-phase phosphoprotein 8Homo sapiens (human)Potency56.2341AID488949
muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)Potency11.7031AID943; AID944
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.0000AID1461
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency39.8107AID885
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency25.1189AID883
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency39.8107AID885
GABA theta subunitRattus norvegicus (Norway rat)Potency39.8107AID885
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency39.8107AID885

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Carbonic anhydrase 1Homo sapiens (human)IC50100.0000AID1796989; AID50345
Carbonic anhydrase 2Homo sapiens (human)IC50100.0000AID1796989; AID47749
Prostaglandin G/H synthase 1Ovis aries (sheep)IC500.0279AID1067407; AID1205447; AID1608176; AID1617778; AID1709541; AID1709974; AID1802146; AID657242
Prostaglandin G/H synthase 1Homo sapiens (human)IC500.0301AID1483246; AID161494; AID1709977; AID491943; AID567052; AID675695; AID675699; AID738676
Prostaglandin G/H synthase 2Homo sapiens (human)IC5021.5994AID1483247; AID1608177; AID162507; AID1709542; AID1709975; AID1802146; AID675696
Prostaglandin G/H synthase 2Ovis aries (sheep)IC5074.9000AID1205448
Carbonic anhydrase 9Homo sapiens (human)IC50100.0000AID1796990; AID48294
Carbonic anhydrase 4Bos taurus (cattle)IC50100.0000AID1796989; AID48114

Bioassays (82)

Assay IDTitleYearJournalArticle
AID1448332Induction of microtubule stabilization in human QBI293 cells assessed as increase in acetylated tubulin levels at 10 uM after 4 hrs by ELISA relative to control2017Journal of medicinal chemistry, 06-22, Volume: 60, Issue:12
ISSN: 1520-4804		Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases.
AID669520Inhibition of COX1 in human whole blood assessed as residual TXB2 level at 5 uM after 1 hr by LC-MS/MS analysis relative to control2012Journal of medicinal chemistry, Apr-26, Volume: 55, Issue:8
ISSN: 1520-4804		Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).
AID491943Inhibition of COX1 by microplate reader2010Journal of natural products, Jul-23, Volume: 73, Issue:7
ISSN: 1520-6025		Triterpene saponins from Clematis chinensis and their potential anti-inflammatory activity.
AID469008Inhibition of COX1 at 100 uM after 15 mins2009Journal of natural products, Oct, Volume: 72, Issue:10
ISSN: 1520-6025		Monoterpenoid indole alkaloids from Alstonia yunnanensis.
AID166908Variation of intraocular pressure in third day at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID48114Inhibitory activity against bovine carbonic anhydrase IV was determined2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
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.
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.
AID48294Inhibitory activity against human carbonic anhydrase IX was determined2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1205447Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay2015European journal of medicinal chemistry, Apr-13, Volume: 94ISSN: 1768-3254General role of the amino and methylsulfamoyl groups in selective cyclooxygenase(COX)-1 inhibition by 1,4-diaryl-1,2,3-triazoles and validation of a predictive pharmacometric PLS model.
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.
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.
AID1709542Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA2021ACS medicinal chemistry letters, Apr-08, Volume: 12, Issue:4
ISSN: 1948-5875		Synthesis, Inhibitory Activity, and
AID1067407Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay2014European journal of medicinal chemistry, Mar-03, Volume: 74ISSN: 1768-3254Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles.
AID404480Inhibition of PGF2alpha production in mouse MC9 cells2008Journal of medicinal chemistry, Jun-26, Volume: 51, Issue:12
ISSN: 0022-2623		Indole cytosolic phospholipase A2 alpha inhibitors: discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid, efipladib.
AID255337Percent inhibition of cyclooxygenase-1 at 1 mM upon incubation at 37 degree C. for 6 min in pH 8.52005Journal of medicinal chemistry, Oct-06, Volume: 48, Issue:20
ISSN: 0022-2623		Synthesis and antiinflammatory activity of coumarin derivatives.
AID1448334Inhibition of COX-mediated PGD2/PGE2 production in arachidonic acid-stimulated RBL1 cells at 10 nM preincubated for 2 hrs followed by A23187 induction for 15 mins by LC/MS/MS analysis relative to control2017Journal of medicinal chemistry, 06-22, Volume: 60, Issue:12
ISSN: 1520-4804		Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases.
AID669521Inhibition of COX1 in human whole blood assessed as residual PGD2 level at 5 uM after 1 hr by LC-MS/MS analysis relative to control2012Journal of medicinal chemistry, Apr-26, Volume: 55, Issue:8
ISSN: 1520-4804		Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).
AID1192612Inhibition of ovine COX1 using PGEH2 as substrate at 10 uM after 10 mins by EIA2015Bioorganic & medicinal chemistry, Feb-15, Volume: 23, Issue:4
ISSN: 1464-3391		Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors.
AID404479Inhibition of LTB4 production in mouse MC9 cells2008Journal of medicinal chemistry, Jun-26, Volume: 51, Issue:12
ISSN: 0022-2623		Indole cytosolic phospholipase A2 alpha inhibitors: discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid, efipladib.
AID1709976Selectivity index, ratio of IC50 for recombinant ovine COX1 expressed in human OVCAR-3 cells to IC50 for recombinant human COX22021ACS medicinal chemistry letters, May-13, Volume: 12, Issue:5
ISSN: 1948-5875		Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells.
AID162507In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)1997Journal of medicinal chemistry, Apr-25, Volume: 40, Issue:9
ISSN: 0022-2623		Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).
AID1448335Inhibition of 5-LOX-mediated LTB4 production in arachidonic acid-stimulated RBL1 cells at 10 nM preincubated for 2 hrs followed by A23187 induction for 15 mins by LC/MS/MS analysis relative to control2017Journal of medicinal chemistry, 06-22, Volume: 60, Issue:12
ISSN: 1520-4804		Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases.
AID738676Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay2013Bioorganic & medicinal chemistry, Apr-15, Volume: 21, Issue:8
ISSN: 1464-3391		Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives.
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.
AID1608178Selectivity index, ratio of IC50 for ovine COX1 to IC50 for recombinant human COX22019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites.
AID1067405Inhibition of ovine COX2 at 50 uM by peroxidase activity-based colorimetric assay2014European journal of medicinal chemistry, Mar-03, Volume: 74ISSN: 1768-3254Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles.
AID1057881Inhibition of COX1 in human whole blood assessed as reduction in TXB2 production by measuring remaining activity at 5 uM after 1 hr by LC-MS/MS analysis2013Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24
ISSN: 1464-3391		Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.
AID1617779Inhibition of ovine recombinant COX1 assessed as residual activity at 42 uM using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis2019Journal of natural products, 12-27, Volume: 82, Issue:12
ISSN: 1520-6025		Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes.
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.
AID454620Inhibition of ovine COX1 at 1 mM by colorimetric assay2010Bioorganic & medicinal chemistry letters, Jan-15, Volume: 20, Issue:2
ISSN: 1464-3405		Synthesis and biological evaluation of nitrogen-containing chalcones as possible anti-inflammatory and antioxidant agents.
AID1483246Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidonic acid for 2 mins by fluorescence analysis2017Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10
ISSN: 1520-4804
AID346079Inhibition of IgE-specific antigen-induced PGF2-alpha release in rat MC9 cells at 0.0005 uM2009Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4
ISSN: 1520-4804		Reactions of functionalized sulfonamides: application to lowering the lipophilicity of cytosolic phospholipase A2alpha inhibitors.
AID346087Inhibition of IgE-specific antigen-induced LBT4 release in rat MC9 cells2009Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4
ISSN: 1520-4804		Reactions of functionalized sulfonamides: application to lowering the lipophilicity of cytosolic phospholipase A2alpha inhibitors.
AID1205448Inhibition of ovine COX-2 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay2015European journal of medicinal chemistry, Apr-13, Volume: 94ISSN: 1768-3254General role of the amino and methylsulfamoyl groups in selective cyclooxygenase(COX)-1 inhibition by 1,4-diaryl-1,2,3-triazoles and validation of a predictive pharmacometric PLS model.
AID503321Antiproliferative activity against human PC3 cells at 250 nM after 120 hrs by MTT assay relative to DMSO2006Nature chemical biology, Jun, Volume: 2, Issue:6
ISSN: 1552-4450		Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID266337Inhibition of COX1 at 30 uM2006Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11
ISSN: 0960-894X		Anti-angiogenic activity of basic-type, selective cyclooxygenase (COX)-1 inhibitors.
AID266341Cytotoxicity against HUVEC cell line2006Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11
ISSN: 0960-894X		Anti-angiogenic activity of basic-type, selective cyclooxygenase (COX)-1 inhibitors.
AID1608177Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites.
AID50345Inhibitory activity against human carbonic anhydrase I was determined2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1483247Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidonic acid for 2 mins by fluorescence analysis2017Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10
ISSN: 1520-4804
AID1608176Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites.
AID47749Inhibitory activity against human carbonic anhydrase II was determined2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID166751Variation of intraocular pressure in fifth day at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1443232Inhibition of ovine COX1 at 60 uM using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP probe-based fluorescence assay relative to control2017Bioorganic & medicinal chemistry letters, 04-15, Volume: 27, Issue:8
ISSN: 1464-3405		Novel 2-phenyl-4,5,6,7-tetrahydro[b]benzothiophene analogues as selective COX-2 inhibitors: Design, synthesis, anti-inflammatory evaluation, and molecular docking studies.
AID346084Inhibition of arachidonic acid-induced PGF2-alpha release in rat MC9 cells at 0.0005 uM2009Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4
ISSN: 1520-4804		Reactions of functionalized sulfonamides: application to lowering the lipophilicity of cytosolic phospholipase A2alpha inhibitors.
AID657243Inhibition of human recombinant COX2 by fluorescence assay2012Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9
ISSN: 1464-3391		Synthesis and biological evaluation of isoxazolo[4,5-d]pyridazin-4-(5H)-one analogues as potent anti-inflammatory agents.
AID1448337Change in total alpha-tubulin levels in human QBI293 cells at 1 uM after 4 hrs by ELISA relative to control2017Journal of medicinal chemistry, 06-22, Volume: 60, Issue:12
ISSN: 1520-4804		Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases.
AID1709541Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA2021ACS medicinal chemistry letters, Apr-08, Volume: 12, Issue:4
ISSN: 1948-5875		Synthesis, Inhibitory Activity, and
AID535977Cytotoxicity against human COLO320 cells after 72 hrs by WST-1 assay2010European journal of medicinal chemistry, Nov, Volume: 45, Issue:11
ISSN: 1768-3254		Therapeutic potential of sulindac hydroxamic acid against human pancreatic and colonic cancer cells.
AID266339Antiangiogenic activity against HUVEC cells by tube formation assay at 100 uM2006Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11
ISSN: 0960-894X		Anti-angiogenic activity of basic-type, selective cyclooxygenase (COX)-1 inhibitors.
AID675699Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after 30 mins2012Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5
ISSN: 1520-4804		Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.
AID166747Variation of intraocular pressure in day one at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1709977Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA2021ACS medicinal chemistry letters, May-13, Volume: 12, Issue:5
ISSN: 1948-5875		Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells.
AID1866139Inhibition of ovine COX-1 at 3.3 uM using arachidonic acid as substrate by colorimetric analysis2022Journal of natural products, 04-22, Volume: 85, Issue:4
ISSN: 1520-6025		Synthesis, Biological Evaluation, and Molecular Docking Study of 3-Amino and 3-Hydroxy-
AID266338Inhibition of COX2 at 30 uM2006Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11
ISSN: 0960-894X		Anti-angiogenic activity of basic-type, selective cyclooxygenase (COX)-1 inhibitors.
AID166904Variation of intraocular pressure in sixth day at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID567052Inhibition of COX12011European journal of medicinal chemistry, Jan, Volume: 46, Issue:1
ISSN: 1768-3254		Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities.
AID266340Antiangiogenic activity against HUVEC cells by tube formation assay at 300 uM2006Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11
ISSN: 0960-894X		Anti-angiogenic activity of basic-type, selective cyclooxygenase (COX)-1 inhibitors.
AID1443234Inhibition of human recombinant COX2 at 60 uM using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP probe-based fluorescence assay relative to control2017Bioorganic & medicinal chemistry letters, 04-15, Volume: 27, Issue:8
ISSN: 1464-3405		Novel 2-phenyl-4,5,6,7-tetrahydro[b]benzothiophene analogues as selective COX-2 inhibitors: Design, synthesis, anti-inflammatory evaluation, and molecular docking studies.
AID675695Inhibition of COX12012Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5
ISSN: 1520-4804		Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.
AID657242Inhibition of ovine COX1 by fluorescence assay2012Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9
ISSN: 1464-3391		Synthesis and biological evaluation of isoxazolo[4,5-d]pyridazin-4-(5H)-one analogues as potent anti-inflammatory agents.
AID161494In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)1997Journal of medicinal chemistry, Apr-25, Volume: 40, Issue:9
ISSN: 0022-2623		Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).
AID1709974Inhibition of recombinant ovine COX12021ACS medicinal chemistry letters, May-13, Volume: 12, Issue:5
ISSN: 1948-5875		Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells.
AID166763Variation of intraocular pressure in seventh day at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID535976Cytotoxicity against human MIAPaCa2 cells after 72 hrs by WST-1 assay2010European journal of medicinal chemistry, Nov, Volume: 45, Issue:11
ISSN: 1768-3254		Therapeutic potential of sulindac hydroxamic acid against human pancreatic and colonic cancer cells.
AID1057879Inhibition of COX1 in human whole blood assessed as reduction in PGD2 production by measuring remaining activity at 5 uM after 1 hr by LC-MS/MS analysis2013Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24
ISSN: 1464-3391		Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.
AID1617778Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis2019Journal of natural products, 12-27, Volume: 82, Issue:12
ISSN: 1520-6025		Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes.
AID675696Inhibition of COX22012Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5
ISSN: 1520-4804		Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.
AID166759Variation of intraocular pressure in second day at a dose of 30 mg/kg by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1709543Selectivity index, ratio of IC50 for human recombinant COX-2 to IC50 for ovine COX-12021ACS medicinal chemistry letters, Apr-08, Volume: 12, Issue:4
ISSN: 1948-5875		Synthesis, Inhibitory Activity, and
AID1067408Inhibition of ovine COX1 at 50 uM by peroxidase activity-based colorimetric assay2014European journal of medicinal chemistry, Mar-03, Volume: 74ISSN: 1768-3254Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles.
AID1709975Inhibition of recombinant human COX22021ACS medicinal chemistry letters, May-13, Volume: 12, Issue:5
ISSN: 1948-5875		Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells.
AID404481Inhibition of PGF2apha production in arachidonic acid-stimulated mouse MC9 cells2008Journal of medicinal chemistry, Jun-26, Volume: 51, Issue:12
ISSN: 0022-2623		Indole cytosolic phospholipase A2 alpha inhibitors: discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid, efipladib.
AID166754Variation of intraocular pressure in fourth day at a dose of 30 mg/kg at a dose by systemic administration in hypertensive rabbits2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
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.
AID1796989Carbonic Anhydrase Enzyme Inhibition Assay from Article 10.1021/jm030912m: \\Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.\\2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1796990hCA IX Enzyme Inhibition Assay from Article 10.1021/jm030912m: \\Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.\\2004Journal of medicinal chemistry, Jan-29, Volume: 47, Issue:3
ISSN: 0022-2623		Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
AID1802146In vitro COX Inhibition Assay from Article 10.1016/j.bioorg.2016.09.005: \\Novel 1,3,4-oxadiazole/oxime hybrids: Synthesis, docking studies and investigation of anti-inflammatory, ulcerogenic liability and analgesic activities.\\2016Bioorganic chemistry, 12, Volume: 69ISSN: 1090-2120Novel 1,3,4-oxadiazole/oxime hybrids: Synthesis, docking studies and investigation of anti-inflammatory, ulcerogenic liability and analgesic activities.
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.
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.

Research

Studies (264)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's2 (0.76)18.2507
2000's165 (62.50)29.6817
2010's90 (34.09)24.3611
2020's7 (2.65)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (0.36%)5.53%
Reviews2 (0.73%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other271 (98.91%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
am 251
0
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		00low000000
celecoxib
0
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
dipyrone
0
amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug		00low000000
famprofazone
0
pyrazoles;
ring assembly		00low000000
fipronil
0
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide		00low000000
fomepizole
0
pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent		00low000000
nifenazone
0
pyrazoles;
ring assembly		00low000000
1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
ramifenazone
0
pyrazoles;
ring assembly		00low000000
sulfaphenazole
0
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		00low000000
betazole
0
primary amino compound;
pyrazoles		diagnostic agent;
gastrointestinal drug;
histamine agonist		00low000000
5-methylpyrazole-3-carboxylic acid
0
monocarboxylic acid;
pyrazoles		metabolite00low000000
noramidopyrine
0
pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug		00low000000
difenzoquat
0
pyrazoles;
ring assembly		00low000000
metazachlor
0
aromatic amide;
organochlorine compound;
pyrazoles		environmental contaminant;
herbicide;
xenobiotic		00low000000
tepoxalin
0
aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
n-acetylaminoantipyrine
0
acetamides;
pyrazoles		drug metabolite;
marine xenobiotic metabolite		00low000000
lonazolac
0
monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
n-demethylantipyrine
0
pyrazoles;
ring assembly		00low000000
4-Formyl-antipyrine
0
pyrazoles;
ring assembly		00low000000
4-iodopyrazole
0
organoiodine compound;
pyrazoles		00low000000
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile
0
pyrazoles;
ring assembly		00low000000
ethyl 5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate
0
pyrazoles00low000000
halosulfuron methyl
0
pyrazoles00low000000
pyraclofos
0
monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organosulfur compound;
organothiophosphate insecticide;
pyrazoles		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
benzpiperylone
0
pyrazoles;
ring assembly		00low000000
4-hydroxyantipyrine
0
pyrazoles;
ring assembly		00low000000
sr141716
0
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		00low000000
sc 58125
0
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
3-phenyl-1H-pyrazole-5-carboxylic acid
0
pyrazoles;
ring assembly		00low000000
birb 796
0
aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator		00low000000
cgs 20625
0
pyrazoles;
ring assembly		00low000000
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3
0
pyrazoles;
ring assembly		00low000000
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
4-methyl-7-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone
0
pyrazoles;
ring assembly		00low000000
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
0
monochlorobenzenes;
phenylureas;
pyrazoles		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor00low000000
hts 466284
0
pyrazoles;
pyridines;
quinolines		TGFbeta receptor antagonist00low000000
1-phenyl-4-pyrazolol
0
pyrazoles;
ring assembly		00low000000
3-pentyl-4,5,6,7-tetrahydro-1H-indazole
0
pyrazoles00low000000
7-amino-2-methyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile
0
pyrazoles;
ring assembly		00low000000
4-[2-(3-fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
0
pyrazoles;
ring assembly		00low000000
4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
0
pyrazoles;
ring assembly		00low000000
2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol
0
pyrazoles;
ring assembly		00low000000
4-[3-(4-fluorophenyl)-2,5,6-trimethyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
0
pyrazoles;
ring assembly		00low000000
2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
LSM-34623
0
pyrazoles;
ring assembly		00low000000
5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
0
pyrazoles00low000000
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile
0
pyrazoles;
ring assembly		00low000000
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
2-[2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol
0
pyrazoles;
ring assembly		00low000000
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
1-[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide
0
pyrazoles;
ring assembly		00low000000
2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanol
0
pyrazoles;
ring assembly		00low000000
LSM-17424
0
pyrazoles;
ring assembly		00low000000
LSM-19719
0
pyrazoles;
ring assembly		00low000000
LSM-28231
0
pyrazoles;
ring assembly		00low000000
2,6-dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine
0
pyrazoles;
ring assembly		00low000000
Glyceryl lactopalmitate
0
pyrazoles;
ring assembly		00low000000
2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
0
pyrazoles;
ring assembly		00low000000
7-(3,5-dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
0
pyrazoles;
ring assembly		00low000000
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
0
pyrazoles;
ring assembly		00low000000
2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one
0
pyrazoles;
ring assembly		00low000000
1-(3-methylphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
1,3-diphenyl-4-pyrazolecarbonitrile
0
pyrazoles;
ring assembly		00low000000
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester
0
pyrazoles;
ring assembly		00low000000
4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
1-(4-fluorophenyl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
0
pyrazoles;
ring assembly		00low000000
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
0
pyrazoles;
ring assembly		00low000000
2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
0
pyrazoles;
ring assembly		00low000000
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
0
pyrazoles;
ring assembly		00low000000
3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
0
pyrazoles;
ring assembly		00low000000
3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
0
pyrazoles;
ring assembly		00low000000
7,8-dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline
0
pyrazoles;
ring assembly		00low000000
7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline
0
pyrazoles;
ring assembly		00low000000
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
0
aromatic amide;
pyrazoles		00low000000
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
N-(4,5-dihydrothiazol-2-yl)-1-ethyl-3-pyrazolecarboxamide
0
aromatic amide;
pyrazoles		00low000000
1-[[(1,3-dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea
0
aromatic amide;
pyrazoles		00low000000
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
0
pyrazoles;
ring assembly		00low000000
5-(4-methylphenyl)-2-phenyl-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol
0
pyrazoles;
ring assembly		00low000000
5-amino-3-ethyl-1-phenyl-4-pyrazolecarbonitrile
0
pyrazoles;
ring assembly		00low000000
1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
LSM-16463
0
pyrazoles;
ring assembly		00low000000
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
7-amino-2-(4-tert-butylphenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
cct018159
0
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
0
pyrazoles;
ring assembly		00low000000
8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
0
pyrazoles;
ring assembly		00low000000
2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
3-methyl-N'-(1-oxo-2-phenoxyethyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarbohydrazide
0
pyrazoles;
ring assembly		00low000000
4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
0
pyrazoles;
ring assembly		00low000000
1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea
0
pyrazoles;
ring assembly		00low000000
2-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
0
pyrazoles;
ring assembly		00low000000
4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid
0
pyrazoles;
ring assembly		00low000000
N-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
LSM-28273
0
pyrazoles;
ring assembly		00low000000
N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide
0
pyrazoles;
ring assembly		00low000000
1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester
0
pyrazoles00low000000
1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolecarbonitrile
0
pyrazoles;
ring assembly		00low000000
3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
0
pyrazoles;
ring assembly		00low000000
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
0
pyrazoles;
ring assembly		00low000000
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
LSM-20639
0
pyrazoles;
ring assembly		00low000000
6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
0
pyrazoles;
ring assembly		00low000000
4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
0
pyrazoles;
ring assembly		00low000000
N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide
0
pyrazoles;
ring assembly		00low000000
5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
1-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
0
pyrazoles;
ring assembly		00low000000
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methylphenoxy)propanamide
0
pyrazoles;
ring assembly		00low000000
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
0
pyrazoles;
ring assembly		00low000000
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
0
pyrazoles;
ring assembly		00low000000
3-(4-methoxyphenyl)-1-phenyl-4-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide
0
pyrazoles;
ring assembly		00low000000
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
0
pyrazoles;
secondary carboxamide;
trifluoroacetamide		00low000000
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
0
pyrazoles;
ring assembly		00low000000
1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide
0
pyrazoles;
ring assembly		00low000000
1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide
0
pyrazoles;
ring assembly		00low000000
3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid
0
pyrazoles;
ring assembly		00low000000
5-(4-propylphenyl)-1H-pyrazol-3-amine
0
pyrazoles;
ring assembly		00low000000
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
0
pyrazoles;
ring assembly		00low000000
3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
0
pyrazoles;
ring assembly		00low000000
N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine
0
pyrazoles;
ring assembly		00low000000
N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
0
pyrazoles;
ring assembly		00low000000
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide
0
pyrazoles;
ring assembly		00low000000
N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
0
pyrazoles;
ring assembly		00low000000
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one
0
pyrazoles;
ring assembly		00low000000
3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde
0
pyrazoles;
ring assembly		00low000000
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
0
pyrazoles00low000000
4-(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]quinolin-4-yl)morpholine
0
pyrazoles;
ring assembly		00low000000
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
0
pyrazoles00low000000
2,5-bis(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,3,4-oxadiazole
0
pyrazoles;
ring assembly		00low000000
4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
4-(4-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
0
pyrazoles;
ring assembly		00low000000
2-(3,5-dimethyl-1-pyrazolyl)benzonitrile
0
pyrazoles;
ring assembly		00low000000
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
0
ethyl ester;
monochlorobenzenes;
organofluorine compound;
pyrazoles;
sulfonamide		00low000000
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
0
pyrazoles;
ring assembly		00low000000
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid
0
pyrazoles;
ring assembly		00low000000
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
0
pyrazoles;
ring assembly		00low000000
4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
0
pyrazoles;
ring assembly		00low000000
4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
0
pyrazoles;
ring assembly		00low000000
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolone
0
pyrazoles;
ring assembly		00low000000
2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
0
pyrazoles;
ring assembly		00low000000
3-(4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester
0
pyrazoles;
ring assembly		00low000000
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
deracoxib
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
fipronil sulfone
0
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone		marine xenobiotic metabolite00low000000
sr 144528
0
bridged compound;
monochlorobenzenes;
pyrazoles;
secondary carboxamide		CB2 receptor antagonist;
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor		00low000000
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
0
pyrazoles;
ring assembly		00low000000
3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole
0
pyrazoles;
ring assembly		00low000000
2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
0
pyrazoles00low000000
7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
N-(2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide
0
pyrazoles;
ring assembly		00low000000
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
0
pyrazoles;
ring assembly		00low000000
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide
0
pyrazoles;
ring assembly		00low000000
1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid
0
pyrazoles;
ring assembly		00low000000
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
0
pyrazoles;
ring assembly		00low000000
3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester
0
pyrazoles;
ring assembly		00low000000
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid
0
pyrazoles;
ring assembly		00low000000
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
0
pyrazoles00low000000
3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester
0
pyrazoles00low000000
1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
0
pyrazoles;
ring assembly		00low000000
gtp 14564
0
pyrazoles;
ring assembly		00low000000
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
0
pyrazoles;
ring assembly		00low000000
5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
0
pyrazoles;
ring assembly		00low000000
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
N1',N6'-bis[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hexanedihydrazide
0
aromatic amide;
pyrazoles		00low000000
5-chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
0
pyrazoles;
ring assembly		00low000000
5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine
0
pyrazoles;
ring assembly		00low000000
2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-butanol
0
pyrazoles;
ring assembly		00low000000
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
N-butan-2-yl-2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetamide
0
pyrazoles;
ring assembly		00low000000
7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
0
pyrazoles;
ring assembly		00low000000
am 281
0
pyrazoles;
ring assembly		00low000000
LSM-28389
0
pyrazoles;
ring assembly		00low000000
LSM-16826
0
pyrazoles;
ring assembly		00low000000
1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
ver-49009
0
aromatic amide;
monochlorobenzenes;
monomethoxybenzene;
pyrazoles;
resorcinols		Hsp90 inhibitor00low000000
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
0
pyrazoles;
ring assembly		00low000000
6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
0
pyrazoles;
ring assembly		00low000000
5-tert-butyl-3-(4-chlorophenyl)-7-(2-ethyl-1-imidazolyl)pyrazolo[1,5-a]pyrimidine
0
pyrazoles;
ring assembly		00low000000
5-methyl-2-phenyl-4-propan-2-ylidene-3-pyrazolone
0
pyrazoles00low000000
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
0
phenols;
pyrazoles		estrogen receptor agonist00low000000
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one
0
pyrazoles;
ring assembly		00low000000
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone
0
pyrazoles;
ring assembly		00low000000
4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone
0
pyrazoles;
ring assembly		00low000000
N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
0
pyrazoles00low000000
2-(4-fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
4-[[[3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-N-cyclopropyl-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
GSK3-XIII
0
aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor00low000000
pyrachlostrobin
0
aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic		00low000000
2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
0
pyrazoles;
ring assembly		00low000000
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
0
pyrazoles;
ring assembly		00low000000
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-chlorophenyl)-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
sr 147778
0
pyrazoles;
ring assembly		00low000000
sd 0006
0
monochlorobenzenes;
N-acylpiperidine;
primary alcohol;
pyrazoles;
pyrimidines		00low000000
ethiprole
0
pyrazoles;
ring assembly		00low000000
osu 03012
0
antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide
0
pyrazoles;
ring assembly		00low000000
cc 401
0
pyrazoles;
ring assembly		00low000000
at 7867
0
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol
0
pyrazoles;
ring assembly		00low000000
chlorantranilipole
0
monochlorobenzenes;
organobromine compound;
pyrazole insecticide;
pyrazoles;
pyridines;
secondary carboxamide		ryanodine receptor agonist00low000000
at 7519
0
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
penthiopyrad
0
aromatic amide;
organofluorine compound;
pyrazoles;
thiophenes		00low000000
fr 180204
0
pyrazoles;
ring assembly		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
0
aromatic amide;
organofluorine compound;
pyrazoles		00low000000
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
0
aromatic amide;
cyclopropanes;
organofluorine compound;
pyrazoles;
ring assembly		00low000000
GDC-0879
0
indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor		00low000000
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
pyriprole
0
pyrazoles;
ring assembly		00low000000
3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
0
pyrazoles;
ring assembly		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide
0
pyrazoles;
ring assembly		00low000000
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone
0
pyrazoles;
ring assembly		00low000000
fluxapyroxad
0
anilide fungicide;
aromatic amide;
biphenyls;
pyrazoles;
trifluorobenzene		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
3-[3-(4-fluorophenyl)-2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(2-methoxyphenyl)propanamide
0
pyrazoles;
ring assembly		00low000000
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
0
pyrazoles;
ring assembly		00low000000
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
0
pyrazoles;
ring assembly		00low000000
1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine
0
pyrazoles;
ring assembly		00low000000
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
0
pyrazoles;
ring assembly		00low000000
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine
0
pyrazoles;
ring assembly		00low000000
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
0
pyrazoles;
ring assembly		00low000000
(1R,5S)-6-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane
0
pyrazoles;
ring assembly		00low000000
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine
0
pyrazoles;
ring assembly		00low000000
(3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
0
pyrazoles;
ring assembly		00low000000
2-(3,5-dimethyl-1-pyrazolyl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ethanamine
0
pyrazoles;
ring assembly		00low000000
1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
0
pyrazoles;
ring assembly		00low000000
N'-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide
0
pyrazoles;
ring assembly		00low000000
5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfonyl-3-pyrazolamine
0
pyrazoles;
ring assembly		00low000000
1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one
0
pyrazoles;
ring assembly		00low000000
2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
0
pyrazoles;
ring assembly		00low000000
cyenopyrafen
0
nitrile;
pivalate ester;
pyrazoles		agrochemical;
proacaricide		00low000000
sgx 523
0
aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine		c-Met tyrosine kinase inhibitor;
nephrotoxic agent		00low000000
bms 754807
0
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide
0
pyrazoles;
ring assembly		00low000000
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
0
pyrazoles;
ring assembly		00low000000
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide
0
pyrazoles;
ring assembly		00low000000
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide
0
pyrazoles;
ring assembly		00low000000
dcc-2036
0
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor00low000000
incb-018424
0
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
baricitinib
0
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		00low000000
gsk 1070916
0
pyrazoles;
ring assembly		00low000000
gsk-5498a
0
(trifluoromethyl)benzenes;
difluorobenzene;
pyrazoles;
secondary carboxamide		calcium channel blocker00low000000
azd4547
0
benzamides;
N-arylpiperazine;
pyrazoles		fibroblast growth factor receptor antagonist00low000000
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
0
aromatic amide;
bridged compound;
olefinic compound;
organochlorine compound;
organofluorine compound;
pyrazoles		00low000000
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide
0
aromatic amide;
monocarboxylic acid amide;
organofluorine compound;
pyrazoles;
trichlorobenzene		00low000000
oxathiapiprolin
0
1,3-thiazoles;
isoxazoline;
N-acylpiperidine;
organofluorine compound;
pyrazoles;
tertiary carboxamide		00low000000
LimKi 3
0
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor00low000000
pf-06463922
0
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
CCT251545
0
azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor		00low000000
ldc4297
0
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
praliciguat
0
aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
can 508
0
aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide
0
pyrazoles;
ring assembly		00low000000
pyrazofurin
0
C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol
0
pyrazoles;
ring assembly		00low000000
4-methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one
0
pyrazoles;
ring assembly		00low000000
hydrazinocurcumin
0
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole
0
pyrazoles;
ring assembly		00low000000
benefin
0
C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide		00low000000
cgs 12066
0
N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist00low000000
citalopram
0
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		00low000000
diflunisal
0
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
droperidol
0
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		00low000000
enflurane
0
ether;
organochlorine compound;
organofluorine compound		anaesthetic00low000000
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
0
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		00low000000
flecainide
0
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug00low000000
flucytosine
0
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug00low000000
fludiazepam
0
1,4-benzodiazepinone;
organochlorine compound;
organofluorine compound		anxiolytic drug00low000000
flufenamic acid
0
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
fluphenazine
0
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		00low000000
flumazenil
0
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		00low000000
flumequine
0
3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic		00low000000
fluorouracil
0
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		00low000000
fluphenazine depot
0
decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug		00low000000
vanoxerine
0
ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound		dopamine uptake inhibitor00low000000
haloperidol
0
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		00low000000
halothane
0
haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic00low000000
isoflurane
0
organofluorine compoundinhalation anaesthetic00low000000
ketanserin
0
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		00low000000
mefloquine hydrochloride
0
organofluorine compound;
piperidines;
quinolines;
secondary alcohol		00low000000
methoxyflurane
0
ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic		00low000000
ofloxacin
0
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		00low000000
pantoprazole
0
aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
pipamperone
0
aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		00low000000
risperidone
0
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		00low000000
ritanserin
0
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		00low000000
sb 220025
0
aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
sb 202190
0
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
sevoflurane
0
ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor		00low000000
fluoroacetic acid
0
haloacetic acid;
organofluorine compound		EC 4.2.1.3 (aconitate hydratase) inhibitor00low000000
spiperone
0
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		00low000000
gatifloxacin
0
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
tosufloxacin
0
1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound		00low000000
trifluoperazine
0
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		00low000000
triflupromazine
0
organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		00low000000
zardaverine
0
organofluorine compound;
pyridazinone		anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug		00low000000
floxuridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		00low000000
trifluridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		00low000000
dinitrofluorobenzene
0
C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent		00low000000
1,1-difluoroethylene
0
olefinic compound;
organofluorine compound		00low000000
1,1,1-trifluoro-2-chloroethane
0
organofluorine compound00low000000
chloropentafluoroethane
0
organochlorine compound;
organofluorine compound		00low000000
2-fluoroadenosine
0
adenosines;
organofluorine compound		00low000000
perfluorotributylamine
0
organofluorine compoundblood substitute;
greenhouse gas;
solvent		00low000000
5-fluorouridine
0
organofluorine compound;
uridines		mutagen00low000000
5-fluorotryptophan
0
non-proteinogenic alpha-amino acid;
organofluorine compound;
tryptophan derivative		00low000000
bromochlorodifluoromethane
0
one-carbon compound;
organobromine compound;
organochlorine compound;
organofluorine compound		00low000000
difluoroacetic acid
0
monocarboxylic acid;
organofluorine compound		00low000000
fluroxene
0
organofluorine compound00low000000
2,3,4,5,6-pentafluorobenzyl alcohol
0
benzyl alcohols;
organofluorine compound		00low000000
2-fluoroadenine
0
organofluorine compound;
purines		antineoplastic agent00low000000
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide
0
organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides		antifungal agrochemical;
genotoxin		00low000000
hexafluoroisopropanol
0
organofluorine compound;
secondary alcohol		drug metabolite00low000000
dichlofluanid
0
organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides		acaricide;
antifungal agrochemical		00low000000
pimozide
0
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		00low000000
5-fluorocytidine
0
cytidines;
organofluorine compound		00low000000
doxifluridine
0
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		00low000000
fludarabine phosphate
0
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		00low000000
flubendazole
0
aromatic ketone;
benzimidazoles;
carbamate ester;
organofluorine compound		antinematodal drug;
teratogenic agent		00low000000
flunixin
0
aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
desflurane
0
organofluorine compoundinhalation anaesthetic00low000000
paroxetine
0
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		00low000000
acifluorfen
0
aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
triflumuron
0
aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound		00low000000
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid
0
aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic		00low000000
haloxyfop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		00low000000
fluazifop-butyl
0
aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines		00low000000
fomesafen
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
temafloxacin
0
amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound		00low000000
sertindole
0
heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist		00low000000
gemcitabine hydrochloride
0
hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent		00low000000
gemcitabine
0
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		00low000000
emtricitabine
0
monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor		00low000000
capecitabine
0
carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
4-fluorofentanyl
0
monocarboxylic acid amide;
organofluorine compound;
piperidines		00low000000
efavirenz
0
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		00low000000
heptafluorobutyric anhydride
0
acyclic carboxylic anhydride;
organofluorine compound		chromatographic reagent00low000000
perfluorotripropylamine
0
organofluorine compoundblood substitute00low000000
3-fluoropyruvate
0
2-oxo monocarboxylic acid;
organofluorine compound		00low000000
spiramide
0
aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist		00low000000
flunoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
halopropane
0
organofluorine compound00low000000
enrofloxacin
0
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		00low000000
flurithromycin
0
cyclic ketone;
erythromycin derivative;
organofluorine compound;
semisynthetic derivative		antibacterial drug00low000000
nebivolol
0
chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound		00low000000
hp 873
0
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist		00low000000
fluphenacur
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound		00low000000
nucleocidin
0
6-aminopurines;
adenosines;
diol;
organofluorine compound;
sulfamate ester		antibacterial agent;
bacterial metabolite;
nucleoside antibiotic;
protein synthesis inhibitor;
trypanocidal drug		00low000000
fluoroacetaldehyde
0
aldehyde;
organofluorine compound		cardiotoxic agent00low000000
fc 75
0
alkyltetrahydrofuran;
organofluorine compound		00low000000
tetraconazole
0
dichlorobenzene;
ether;
organofluorine compound;
triazoles		00low000000
hei 712
0
organofluorine compound;
quinolone		00low000000
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide
0
dichlorobenzene;
organofluorine compound;
sulfonamide;
triazoles		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
thifluzamide
0
1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
fludioxonil
0
benzodioxoles;
nitrile;
organofluorine compound;
pyrroles		androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist		00low000000
fluquinconazole
0
conazole fungicide;
dichlorobenzene;
organofluorine compound;
quinazolines;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
cloransulam-methyl
0
methyl ester;
monochlorobenzenes;
organofluorine compound;
sulfonamide;
triazolopyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
fluazifop
0
aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines		00low000000
dithiopyr
0
organofluorine compound;
pyridines;
thioester		00low000000
s 53482
0
benzoxazine;
dicarboximide;
organofluorine compound;
terminal acetylenic compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide;
teratogenic agent		00low000000
clodinafop-propargyl
0
aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide		00low000000
triflusulfuron-methyl
0
1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
novaluron
0
aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound		00low000000
fulvestrant
0
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		00low000000
cyfluthrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide		00low000000
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether
0
organofluorine compound00low000000
florfenicol
0
organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone		antimicrobial agent00low000000
paliperidone
0
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol		00low000000
clofarabine
0
adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent		00low000000
5-fluoromethylornithine
0
organofluorine compound;
ornithine derivative		EC 2.6.1.13 (ornithine aminotransferase) inhibitor00low000000
nitroflurbiprofen
0
biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent		00low000000
ezogabine
0
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator		00low000000
garenoxacin
0
aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug		00low000000
5-fluorowillardiine
0
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
organofluorine compound		AMPA receptor agonist00low000000
perfluoro-n-methyldecahydroisoquinoline
0
organofluorine compoundblood substitute00low000000
fc 80
0
alkyltetrahydrofuran;
organofluorine compound		00low000000
ezetimibe
0
azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite		00low000000
5-fluorouridine 5'-phosphate
0
organofluorine compound;
pyrimidine ribonucleoside 5'-monophosphate		drug metabolite00low000000
cox 189
0
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
jte 522
0
1,3-oxazoles;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor00low000000
trifluoromethionine
0
L-methionine derivative;
non-proteinogenic L-alpha-amino acid;
organofluorine compound		00low000000
lapatinib
0
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
cimicoxib
0
aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
5',5',5'-trifluoroleucine
0
leucine derivative;
non-proteinogenic alpha-amino acid;
organofluorine compound		00low000000
sorbinil
0
azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor		00low000000
linezolid
0
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		00low000000
2'-deoxy-2-fluoroadenosine
0
adenosines;
organofluorine compound		00low000000
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine
0
6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor		00low000000
roflumilast
0
aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor		00low000000
posaconazole
0
aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug00low000000
efinaconazole
0
conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor00low000000
favipiravir
0
hydroxypyrazine;
organofluorine compound;
primary carboxamide		anticoronaviral agent;
antiviral drug;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor		00low000000
ck-0944666
0
benzamides;
indoles;
organofluorine compound		actin polymerisation inhibitor00low000000
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one
0
organofluorine compound00low000000
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
0
organofluorine compound00low000000
transfluthrin
0
carboxylic ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester insecticide00low000000
4-(4-fluorophenyl)-3H-thiazole-2-thione
0
organofluorine compound00low000000
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
0
organofluorine compound00low000000
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
0
organofluorine compound00low000000
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea
0
organofluorine compound00low000000
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
0
organofluorine compound00low000000
sulindac
0
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		00low000000
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester
0
organofluorine compound00low000000
N-(4-fluorobenzyl)urea
0
organofluorine compound00low000000
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
0
organofluorine compound00low000000
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
0
acetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles		00low000000
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
0
organofluorine compound00low000000
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester
0
organofluorine compound00low000000
zd 6474
0
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
0
organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound		00low000000
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
0
organofluorine compound00low000000
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester
0
organofluorine compound00low000000
1-[(2-fluorophenyl)methyl]-4-pyrazolamine
0
organofluorine compound00low000000
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
0
organofluorine compound00low000000
ro 60-0175
0
indoles;
organochlorine compound;
organofluorine compound;
primary amino compound		00low000000
jtk-303
0
aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor00low000000
arachidonyltrifluoromethane
0
fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound		EC 3.1.1.4 (phospholipase A2) inhibitor00low000000
cyhalothrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
sulindac sulfide
0
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		00low000000
bw b70c
0
aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor00low000000
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
0
dihydroxy monocarboxylic acid;
indoles;
organofluorine compound		00low000000
sulindac sulfone
0
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		00low000000
clodinafop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide		00low000000
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one
0
organic heterotetracyclic compound;
organofluorine compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor00low000000
z-val-ala-asp(ome)-fluoromethylketone
0
carbamate ester;
organofluorine compound;
tripeptide		apoptosis inhibitor;
protease inhibitor		00low000000
robenacoxib
0
aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
acrinathrin
0
cyclopropanecarboxylate ester;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
bifenthrin
0
carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
netupitant
0
aminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes		antiemetic;
neurokinin-1 receptor antagonist		00low000000
flibanserin
0
benzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound		antidepressant;
serotonergic agonist;
serotonergic antagonist		00low000000
ru 58668
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
nepicastat
0
1,3-dihydroimidazole-2-thiones;
organofluorine compound;
primary amino compound;
tetralins		EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor00low000000
gw 501516
0
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		00low000000
noviflumuron
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound		00low000000
flonicamid
0
nitrile;
organofluorine compound;
pyridinecarboxamide		environmental contaminant;
insecticide;
xenobiotic		00low000000
paliperidone palmitate
0
1,2-benzoxazoles;
fatty acid ester;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		00low000000
cangrelor
0
adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
tafluprost
0
isopropyl ester;
organofluorine compound;
prostaglandins Falpha		prostaglandin receptor agonist00low000000
ticagrelor
0
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
am 694
0
aromatic ketone;
indoles;
organofluorine compound;
organoiodine compound;
synthetic cannabinoid		cannabinoid receptor agonist00low000000
rucaparib
0
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
vorapaxar
0
carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines		cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist		00low000000
azd 6244
0
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		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
rolapitant
0
azaspiro compound;
ether;
organofluorine compound;
piperidines;
pyrrolidin-2-ones		antiemetic;
neurokinin-1 receptor antagonist		00low000000
r-138727
0
organofluorine compound00low000000
fluoxastrobin
0
aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
flumorph
0
aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide		00low000000
fluopicolide
0
benzamide fungicide;
benzamides;
dichlorobenzene;
monochloropyridine;
organofluorine compound		antifungal agrochemical00low000000
gamendazole
0
alpha,beta-unsaturated monocarboxylic acid;
dichlorobenzene;
indazoles;
olefinic compound;
organofluorine compound		antispermatogenic agent;
eukaryotic translation elongation factor 1alpha 1 inhibitor;
Hsp90 inhibitor;
synthetic oral contraceptive		00low000000
tedizolid
0
carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor		00low000000
rx-3117
0
organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug		00low000000
picoxystrobin
0
aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
bay 63-2521
0
aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine		antihypertensive agent;
soluble guanylate cyclase activator		00low000000
tedizolid phosphate
0
carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor		00low000000
tavaborole
0
benzoxaborole;
organofluorine compound		antifungal agent;
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor;
protein synthesis inhibitor		00low000000
tembotrione
0
aromatic ketone;
beta-triketone;
cyclic ketone;
ether;
monochlorobenzenes;
organofluorine compound;
sulfone		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide		00low000000
finafloxacin
0
cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent		00low000000
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
0
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
idelalisib
0
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
trifloxystrobin
0
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
organofluorine compound;
oxime O-ether		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
trametinib
0
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		00low000000
butafenacil
0
benzoate ester;
diester;
monochlorobenzenes;
olefinic compound;
organofluorine compound		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
bgt226
0
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
lumacaftor
0
aromatic amide;
benzodioxoles;
benzoic acids;
cyclopropanes;
organofluorine compound;
pyridines		CFTR potentiator;
orphan drug		00low000000
ro5126766
0
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
sulfoxaflor
0
nitrile;
organofluorine compound;
pyridines;
sulfoximide		00low000000
azd 7545
0
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent		00low000000
ph 797804
0
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
dafadine D
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines		P450 inhibitor00low000000
canagliflozin
0
C-glycosyl compound;
organofluorine compound;
thiophenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		00low000000
florbetapir f 18
0
(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
cabozantinib
0
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
pexidartinib
0
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
TAK-580
0
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		00low000000
dabrafenib
0
1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor		00low000000
sofosbuvir
0
isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester		antiviral drug;
hepatitis C protease inhibitor;
prodrug		00low000000
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
0
organofluorine compoundnon-steroidal anti-inflammatory drug00low000000
torin 1
0
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		00low000000
ro 4929097
0
dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor00low000000
torin 2
0
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		00low000000
gsk2656157
0
biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor		00low000000
vericiguat
0
aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
pacific blue succinimidyl ester
0
hydroxycoumarin;
N-hydroxysuccinimide ester;
organofluorine compound		fluorochrome00low000000
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione
0
halophenol;
organofluorine compound		00low000000
ledipasvir
0
azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound		antiviral drug;
hepatitis C protease inhibitor		00low000000
ivosidenib
0
cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
enasidenib
0
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
MMP-9-IN-1
0
aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor		00low000000
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine
0
organofluorine compound00low000000
nirmatrelvir
0
azabicyclohexane;
nitrile;
organofluorine compound;
pyrrolidin-2-ones;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
quinacrine
0
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		00low000000
vanilmandelic acid
0
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite00low000000
4-(2,4-dichlorophenoxy)butyric acid
0
aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin		00low000000
win 52035
0
aromatic ether00low000000
win 52084
0
aromatic ether00low000000
5-(nonyloxy)tryptamine
0
aromatic ether;
primary amino compound;
tryptamines		serotonergic agonist00low000000
methylbufotenin
0
aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite		00low000000
5-methoxytryptamine
0
aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
amsacrine
0
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
aristolochic acid i
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
0
aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
plant metabolite		00low000000
bufetolol
0
aromatic ether00low000000
bufexamac
0
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
bunitrolol
0
aromatic ether00low000000
bupranolol
0
aromatic ether00low000000
verapamil
0
aromatic ether;
nitrile;
polyether;
tertiary amino compound		00low000000
cgp 12177
0
aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
ciglitazone
0
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		00low000000
cirazoline
0
aromatic ether00low000000
clofibrate
0
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		00low000000
colchicine, (+-)-isomer
0
acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite		00low000000
croconazole
0
aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes		00low000000
cypermethrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
racemethorphan
0
aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound		00low000000
dibucaine
0
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic00low000000
dilacor xr
0
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		00low000000
domiphen
0
aromatic ether00low000000
donepezil
0
aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent		00low000000
epirizole
0
aromatic ether00low000000
ethacrynic acid
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		00low000000
ethoxyquin
0
aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator		00low000000
ethoxzolamide
0
aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
2-hexyloxybenzamide
0
aromatic ether;
benzamides		antifungal agent00low000000
fenofibrate
0
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
fenvalerate
0
aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
fluoxetine
0
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound		00low000000
gallamine triethiodide
0
aromatic ether00low000000
gemfibrozil
0
aromatic etherantilipemic drug00low000000
haloprogin
0
aromatic ether00low000000
indomethacin
0
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		00low000000
ipriflavone
0
aromatic ether;
isoflavones		bone density conservation agent00low000000
ly 171883
0
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		00low000000
mephenesin
0
aromatic ether;
glycerol ether		00low000000
methocarbamol
0
aromatic ether;
carbamate ester;
secondary alcohol		00low000000
methoctramine
0
aromatic ether;
tetramine		muscarinic antagonist00low000000
methoxsalen
0
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		00low000000
metoprolol
0
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
mexiletine
0
aromatic ether;
primary amino compound		anti-arrhythmia drug00low000000
midodrine
0
amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent		00low000000
clorgyline
0
aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor		00low000000
nefazodone
0
aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor		00low000000
nimesulide
0
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
nisoxetine
0
aromatic ether;
secondary amino compound		adrenergic uptake inhibitor;
antidepressant		00low000000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
0
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
omeprazole
0
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		00low000000
oxprenolol
0
aromatic ether00low000000
pd 153035
0
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pentamidine
0
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		00low000000
phenacetin
0
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		00low000000
pioglitazone
0
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		00low000000
piretanide
0
aromatic ether00low000000
pramoxine
0
aromatic ether;
morpholines		local anaesthetic00low000000
prazosin
0
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		00low000000
primaquine
0
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial00low000000
proglumetacin
0
aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
propoxur
0
aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
pyrilamine
0
aromatic ether;
ethylenediamine derivative		H1-receptor antagonist00low000000
sulfadimethoxine
0
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		00low000000
tetrahydropapaverine
0
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
ultram
0
aromatic ether;
tertiary alcohol;
tertiary amino compound		00low000000
triclosan
0
aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic		00low000000
viloxazine
0
aromatic ether00low000000
wb 4101
0
aromatic ether;
benzodioxine;
secondary amino compound		alpha-adrenergic antagonist00low000000
3,3',5-triiodothyropropionic acid
0
aromatic ether00low000000
methacetin
0
acetamides;
aromatic ether		00low000000
mestranol
0
17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen		00low000000
visnagin
0
aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent		00low000000
2-tert-butyl-4-hydroxyanisole
0
aromatic ether;
phenols		00low000000
mecoprop
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		00low000000
phenetidine
0
aromatic ether;
substituted aniline		00low000000
2-methyl-4-chlorophenoxy gamma-butyric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic		00low000000
4-bromophenyl phenyl ether
0
aromatic ether;
organobromine compound		00low000000
di-(4-aminophenyl)ether
0
aromatic ether00low000000
phenyl ether
0
aromatic etherplant metabolite00low000000
diglycidyl resorcinol ether
0
aromatic ether00low000000
phenetole
0
aromatic ether00low000000
scoparone
0
aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite		00low000000
dimethoxyphenylethylamine
0
alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite		00low000000
dichlorprop
0
aromatic ether;
dichlorobenzene;
monocarboxylic acid		00low000000
3-tert-butyl-4-hydroxyanisole
0
aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite		00low000000
ethyl vanillin
0
aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent		00low000000
benzethonium chloride
0
aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant		00low000000
peucedanin
0
aromatic ether;
furanocoumarin;
lactone		plant metabolite00low000000
phenetidine
0
aromatic ether;
primary amino compound;
substituted aniline		drug metabolite00low000000
6-methoxybenzoxazolinone
0
aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite		00low000000
3-anisidine
0
aromatic ether;
substituted aniline		00low000000
domiphen bromide
0
aromatic ether00low000000
dibrompropamidine
0
aromatic ether00low000000
4-Ethoxyphenol
0
aromatic ether;
phenols		00low000000
bulbocapnine
0
aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite		00low000000
benzydamine
0
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		00low000000
xylocholine
0
aromatic ether00low000000
3-methoxycatechol
0
aromatic ether;
catechols		G-protein-coupled receptor agonist00low000000
2-phenoxypropanoic acid
0
aromatic ether;
carboxylic acid		00low000000
6-methoxyquinoline
0
aromatic ether;
quinolines		00low000000
metaxalone
0
aromatic ether00low000000
heliamine
0
aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines		plant metabolite00low000000
2,4,6-trichlorophenyl 4-nitrophenyl ether
0
aromatic ether;
C-nitro compound;
chlorobenzenes		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
etridiazol
0
aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles		antifungal agrochemical;
nitrification inhibitor		00low000000
toliprolol
0
aromatic ether00low000000
5-methoxyindoleacetic acid
0
aromatic ether;
indole-3-acetic acids		antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite		00low000000
iproclozide
0
aromatic ether00low000000
phenoxyacetic acid
0
aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant		00low000000
nafenopin
0
aromatic ether;
monocarboxylic acid		00low000000
methyl vanillate
0
aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite		00low000000
5-methoxyindole-2-carboxylic acid
0
aromatic ether;
indolecarboxylic acid		EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite		00low000000
2-isopropoxyphenol
0
aromatic ether;
phenols		00low000000
dehydroemetine
0
aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug		00low000000
1,2-epoxy-3-(p-nitrophenoxy)propane
0
aromatic ether;
C-nitro compound;
epoxide		00low000000
laurolitsine
0
aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite		00low000000
metocurine iodide
0
aromatic ether00low000000
ac 45594
0
aromatic ether00low000000
3-phenoxybenzylalcohol
0
aromatic ether;
benzyl alcohols		marine xenobiotic metabolite00low000000
devrinol
0
aromatic ether;
monocarboxylic acid amide;
naphthalenes		00low000000
fluorodifen
0
aromatic ether00low000000
acridine half-mustard
0
aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound		mutagen00low000000
precocene i
0
aromatic ether;
chromenes		plant metabolite;
precocenes		00low000000
oxadiazon
0
aromatic ether00low000000
lofexidine
0
aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent		00low000000
alclofenac
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
phenylglycidyl ether
0
aromatic ether00low000000
phenoxyethanol
0
aromatic ether;
glycol ether;
primary alcohol		antiinfective agent;
central nervous system depressant		00low000000
metipranolol
0
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
oxamethacin
0
aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
canadine
0
aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle		00low000000
7-ethoxycoumarin
0
aromatic ether;
coumarins		00low000000
medifoxamine
0
aromatic ether00low000000
chlormethoxynil
0
aromatic ether00low000000
climbazole
0
aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes		00low000000
4-hexyloxyaniline
0
aromatic ether;
substituted aniline		00low000000
ticrynafen
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic		00low000000
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid
0
aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid		00low000000
bezafibrate
0
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
oxyfluorofen
0
aromatic etherEC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
triadimefon
0
aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles		00low000000
levobunolol
0
aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist		00low000000
dichlorfop-methyl
0
aromatic ether;
dichlorobenzene;
diether;
methyl ester		00low000000
decamethrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide		00low000000
triadimenol
0
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		00low000000
triclopyr
0
aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
prenalterol
0
aromatic ether00low000000
st 1059
0
aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent		00low000000
bopindolol
0
aromatic ether;
benzoate ester;
methylindole;
secondary amino compound		00low000000
fenpropathrin, (+-)-isomer
0
aromatic ether;
cyclopropanecarboxylate ester		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
flutolanil
0
(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
fenoxaprop ethyl
0
aromatic ether00low000000
triclabendazole
0
aromatic ether00low000000
fluvalinate
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
fenoxycarb
0
aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic		00low000000
quizalofop-ethyl
0
aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative		00low000000
cetamolol
0
aromatic ether00low000000
atomoxetine
0
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		00low000000
methyl bensulfuron
0
aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
itraconazole
0
aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor		00low000000
loxtidine
0
aromatic ether;
piperidines;
primary alcohol;
triazoles		H2-receptor antagonist00low000000
disoxaril
0
aromatic ether00low000000
chlorimuron ethyl
0
aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
esmolol
0
aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound		00low000000
pioglitazone hydrochloride
0
aromatic ether00low000000
aripiprazole
0
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		00low000000
sulfametrole
0
aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles		00low000000
propamidine
0
aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug		00low000000
hexamidine
0
aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug		00low000000
o-4-methylthymine
0
aromatic ether;
methylthymine		human metabolite00low000000
fenclofenac
0
aromatic ether00low000000
tetraiodothyroacetic acid
0
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone		00low000000
fluazuron
0
aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas		acaricide;
mite growth regulator		00low000000
etiroxate
0
aromatic ether00low000000
etofamide
0
aromatic ether00low000000
d 888
0
aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent		00low000000
esreboxetine
0
aromatic ether00low000000
guaethol
0
aromatic ether;
phenols;
volatile organic compound		flavouring agent00low000000
5'-nitro-2'-propoxyacetanilide
0
aromatic ether;
C-nitro compound		00low000000
suberosin
0
aromatic ether;
coumarins		anticoagulant;
plant metabolite		00low000000
4-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite		00low000000
toltrazuril
0
aromatic ether00low000000
plafibride
0
aromatic ether00low000000
cinitapride
0
aromatic ether;
C-nitro compound		00low000000
isoscopoletin
0
aromatic ether;
hydroxycoumarin		plant metabolite00low000000
ethofenprox
0
aromatic etherpyrethroid ether insecticide00low000000
uk 68798
0
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		00low000000
fenoxypropazine
0
aromatic ether00low000000
amezinium
0
aromatic ether;
primary arylamine;
pyridazinium ion		adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent		00low000000
rubrofusarin
0
aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite		00low000000
triasulfuron
0
1,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound		agrochemical;
herbicide		00low000000
dauricine
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite00low000000
uvaretin
0
aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
prochloraz
0
amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
stictic acid
0
aromatic ether00low000000
pramoxine hydrochloride
0
aromatic ether00low000000
4-methoxybenzylamine
0
aralkylamino compound;
aromatic ether;
primary amino compound		00low000000
xanthurenic acid 8-methyl ether
0
aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
adriamycinol
0
aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite		00low000000
difenoconazole
0
aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
a 8947
0
aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
ethylhydrocupreine
0
aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor00low000000
7,8-dihydromethysticin
0
2-pyranones;
aromatic ether		00low000000
4,5-dimethoxy-2-nitrobenzaldehyde
0
aromatic ether;
C-nitro compound		00low000000
bisphenol f diglycidyl ether
0
aromatic ether;
diarylmethane;
epoxide		00low000000
oryzemate
0
1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone		antifungal agrochemical;
plant activator		00low000000
bitertanol
0
aromatic ether;
biphenyls;
secondary alcohol;
triazoles		00low000000
diflufenican
0
(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic		00low000000
hexafluoron
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide		00low000000
diethofencarb
0
aromatic ether;
carbamate ester;
carbanilate fungicide		antifungal agrochemical00low000000
pyriproxyfen
0
aromatic ether;
pyridines		juvenile hormone mimic00low000000
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate
0
aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
dpx e9636
0
aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic		00low000000
aclonifen
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
cinosulfuron
0
aromatic ether00low000000
vestitol
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		anti-inflammatory agent;
phytoalexin;
plant metabolite		00low000000
laudanine
0
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate		00low000000
cryptopleurine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor		00low000000
6-hydroxymethylmexiletine
0
aromatic ether00low000000
4-hydroxymexiletine
0
aromatic ether;
phenols		00low000000
cloquintocet-mexyl
0
aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines		00low000000
bursehernin
0
aromatic ether;
benzodioxoles;
butan-4-olide;
lignan		plant metabolite00low000000
2,2',4,4'-tetrabromodiphenyl ether
0
aromatic ether;
organobromine compound		00low000000
allocryptopine
0
aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
syringaresinol
0
aromatic ether;
furofuran;
lignan;
polyether;
polyphenol		plant metabolite00low000000
p-methoxy-n-methylphenethylamine
0
aromatic ether;
secondary amino compound		metabolite00low000000
aflatoxin q1
0
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite		00low000000
u 73122
0
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor00low000000
norverapamil
0
aromatic ether;
nitrile;
polyether;
secondary amino compound		00low000000
fumitremorgin a
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		mycotoxin00low000000
deguelin
0
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		00low000000
aristolochic acid ii
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
alpha-hydroxymetoprolol
0
aromatic ether00low000000
5-(tetradecyloxy)-2-furancarboxylic acid
0
aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist		00low000000
tafenoquine
0
(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound		00low000000
5-hydroxymethylomeprazole
0
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite00low000000
mosapride
0
aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound		00low000000
ym 12617
0
aromatic ether;
secondary amino compound;
sulfonamide		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
cgp 28392
0
aromatic ether00low000000
sodium-binding benzofuran isophthalate
0
1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid		fluorochrome00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
reboxetine
0
aromatic ether00low000000
b 823-08
0
aromatic ether00low000000
cyclazosin
0
aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative		adenosine A2A receptor antagonist00low000000
ivabradine
0
aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug00low000000
febuxostat
0
1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor00low000000
marsupsin
0
1-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
6,6'-bieckol
0
aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger		00low000000
xibenolol
0
aromatic ether00low000000
cicloprolol
0
aromatic ether00low000000
chs 828
0
aromatic ether00low000000
2-(4-methoxyphenoxy)propanoic acid
0
aromatic ether;
carboxylic acid		00low000000
moxifloxacin
0
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug00low000000
rp 73401
0
aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide		anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor		00low000000
2,2',4,4',5,5'-hexabrominated diphenyl ether
0
aromatic ether;
organobromine compound		00low000000
varespladib
0
aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor		00low000000
schizandrin b
0
aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
s 23121
0
aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound		00low000000
acrovestone
0
acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		00low000000
corytuberine
0
aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
isohomovanillic acid
0
aromatic ether;
phenols;
phenylacetic acids		metabolite00low000000
3,5-diiodothyropropionic acid
0
aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols		00low000000
7,8-dihydro-5,6-dehydrokawain
0
2-pyranones;
aromatic ether		00low000000
4-amino-2-methoxypyrimidine
0
aminopyrimidine;
aromatic ether;
methylcytosine		metabolite00low000000
aristolochic acid D
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin		00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
aminopotentidine
0
aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist00low000000
aristolochic acid c
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
pluviatolide
0
aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite00low000000
erysodine
0
aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide		00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
rubrofusarin B
0
aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite00low000000
ly 293111
0
aromatic ether00low000000
enrasentan
0
aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist		00low000000
quizalofop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative		00low000000
cyhalofop-butyl
0
aromatic ether00low000000
cyperin
0
aromatic ether00low000000
aflatoxin b1
0
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		00low000000
etravirine
0
aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor		00low000000
5-o-methyllicoricidin
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite		00low000000
pronuciferine
0
aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite00low000000
dronedarone
0
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic		00low000000
famoxadone
0
aromatic ether;
carbohydrazide;
oxazolidinone		00low000000
sorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		00low000000
dabuzalgron
0
aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide		alpha-adrenergic agonist00low000000
fonsecin
0
aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite		00low000000
lasofoxifene
0
aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist		00low000000
(+-)-Dihydromethysticin
0
2-pyranones;
aromatic ether		00low000000
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline
0
aromatic ether;
substituted aniline		00low000000
chondocurine (1beta)-(+-)-isomer
0
aromatic ether00low000000
1-methyl-4-prop-2-enoxy-2-pyrimidinone
0
aromatic ether;
pyrimidone		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile
0
aromatic ether;
C-nitro compound		00low000000
lariciresinol
0
aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite		00low000000
tryptoquivaline
0
aromatic ether;
indole alkaloid;
organic heteropentacyclic compound		breast cancer resistance protein inhibitor;
mycotoxin		00low000000
2-methoxyestrone
0
17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite		00low000000
win 54954
0
aromatic ether00low000000
silychristin
0
1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
bispyribac
0
aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide00low000000
petunidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite		00low000000
malvidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite00low000000
dioncophylline c
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite		00low000000
stigmatellin
0
aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor		00low000000
teniposide
0
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
prinomastat
0
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor		00low000000
gancaonin I
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
plant metabolite		00low000000
glycyrin
0
aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite		00low000000
glyasperin D
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite00low000000
licoricidin
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite		00low000000
egonol
0
1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol		plant metabolite00low000000
N-ethylharmine
0
aromatic ether;
beta-carbolines;
semisynthetic derivative		anti-HIV agent00low000000
pf 1163a
0
aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite		00low000000
pf 1163b
0
aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite		00low000000
licocoumarone
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide
0
aromatic ether00low000000
LSM-22807
0
aromatic ether00low000000
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
0
aromatic ether00low000000
piperlactam s
0
alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
0
aromatic ether00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
2-phenoxy-N-(2-pyridinyl)butanamide
0
aromatic ether00low000000
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
0
aromatic ether00low000000
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
0
aromatic ether00low000000
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide
0
aromatic ether00low000000
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
0
aromatic ether00low000000
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine
0
aromatic ether00low000000
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole
0
aromatic ether00low000000
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
0
aromatic ether00low000000
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone
0
aromatic ether00low000000
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol
0
aromatic ether00low000000
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine
0
aromatic ether00low000000
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
0
aromatic ether00low000000
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
0
aromatic ether;
triazolothiadiazole		00low000000
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
0
aromatic ether00low000000
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester
0
aromatic ether00low000000
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
0
aromatic ether00low000000
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
0
aromatic ether00low000000
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
0
aromatic ether00low000000
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione
0
aromatic ether00low000000
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester
0
aromatic ether00low000000
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide
0
aromatic ether00low000000
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
0
aromatic ether00low000000
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
0
aromatic ether;
C-nitro compound		00low000000
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester
0
aromatic ether00low000000
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole
0
aromatic ether00low000000
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
0
aromatic ether00low000000
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
0
aromatic ether00low000000
4-(4-phenylmethoxyphenyl)thiadiazole
0
aromatic ether00low000000
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide
0
aromatic ether;
C-nitro compound		00low000000
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone
0
aromatic ether00low000000
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide
0
aromatic ether00low000000
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide
0
aromatic ether00low000000
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
0
aromatic ether00low000000
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
0
aromatic ether00low000000
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide
0
aromatic ether00low000000
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole
0
aromatic ether00low000000
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole
0
aromatic ether00low000000
curcumin
0
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		00low000000
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide
0
aromatic ether;
C-nitro compound		00low000000
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
0
aromatic ether00low000000
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
0
aromatic ether00low000000
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone
0
aromatic ether00low000000
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
0
aromatic ether00low000000
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide
0
aromatic ether00low000000
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide
0
aromatic ether00low000000
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
0
aromatic ether00low000000
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone
0
aromatic ether00low000000
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
0
aromatic ether00low000000
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide
0
aromatic ether00low000000
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
0
aromatic ether00low000000
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
0
aromatic ether00low000000
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine
0
aromatic ether00low000000
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester
0
aromatic ether00low000000
Src Inhibitor-1
0
aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor00low000000
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide
0
aromatic ether00low000000
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile
0
aromatic ether00low000000
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
0
aromatic ether00low000000
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone
0
aromatic ether00low000000
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
0
aromatic ether00low000000
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea
0
aromatic ether00low000000
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
0
aromatic ether00low000000
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
0
aromatic ether00low000000
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile
0
aromatic ether00low000000
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole
0
aromatic ether00low000000
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole
0
aromatic ether00low000000
1-butyl-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
0
aromatic ether00low000000
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
0
aromatic ether00low000000
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
0
aromatic ether00low000000
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
0
aromatic ether00low000000
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
0
aromatic ether00low000000
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine
0
aromatic ether00low000000
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
0
aromatic ether00low000000
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
0
aromatic ether00low000000
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide
0
aromatic ether00low000000
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde
0
aromatic ether00low000000
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
0
aromatic ether;
C-nitro compound		00low000000
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
0
aromatic ether00low000000
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine
0
aromatic ether00low000000
N-butyl-4-phenoxy-1-butanamine
0
aromatic ether00low000000
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester
0
aromatic ether00low000000
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
0
aromatic ether;
C-nitro compound		00low000000
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
0
aromatic ether00low000000
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester
0
aromatic ether00low000000
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester
0
aromatic ether00low000000
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine
0
aromatic ether00low000000
N4-(2-methoxyphenyl)benzene-1,4-diamine
0
aromatic ether;
substituted aniline		00low000000
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
0
aromatic ether00low000000
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
0
aromatic ether00low000000
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
0
aromatic ether00low000000
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
0
aromatic ether00low000000
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine
0
aromatic ether00low000000
5-(3-fluorophenoxy)-8-nitroisoquinoline
0
aromatic ether00low000000
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine
0
aromatic ether00low000000
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
0
aromatic ether00low000000
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate
0
aromatic ether00low000000
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide
0
aromatic ether00low000000
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone
0
aromatic ether00low000000
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
0
aromatic ether00low000000
2-(4-aminophenoxy)isophthalonitrile
0
aromatic ether00low000000
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
0
aromatic ether00low000000
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide
0
aromatic ether00low000000
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea
0
aromatic ether00low000000
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester
0
aromatic ether00low000000
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide
0
aromatic ether;
C-nitro compound		00low000000
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
0
aromatic ether;
C-nitro compound		00low000000
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
0
aromatic ether;
C-nitro compound		00low000000
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol
0
aromatic ether00low000000
1-[4-(3-ethoxyphenoxy)butyl]imidazole
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide
0
aromatic ether00low000000
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea
0
aromatic ether00low000000
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide
0
aromatic ether00low000000
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
0
aromatic ether;
C-nitro compound		00low000000
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
0
aromatic ether00low000000
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
0
aromatic ether00low000000
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
0
aromatic ether00low000000
toremifene
0
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
dieckol
0
aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger		00low000000
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine
0
aromatic ether00low000000
naproxol
0
aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
tamoxifen n-oxide
0
aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite		00low000000
diafenthiuron
0
aromatic ether;
thiourea acaricide;
thiourea insecticide		oxidative phosphorylation inhibitor;
proinsecticide		00low000000
ospemifene
0
aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
adefovir
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite		00low000000
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
0
aromatic ether;
C-nitro compound		00low000000
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
0
aromatic ether00low000000
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
0
aromatic ether00low000000
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide
0
aromatic ether00low000000
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
0
aromatic ether00low000000
quinoxyfen
0
aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines		antifungal agrochemical00low000000
nafadotride
0
aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist00low000000
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea
0
aromatic ether;
C-nitro compound		00low000000
2-methyl-1,3-bis(phenylmethoxy)benzene
0
aromatic ether00low000000
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea
0
aromatic ether00low000000
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
0
aromatic ether00low000000
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
0
aromatic ether00low000000
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
0
aromatic ether00low000000
1-[4-(2-chlorophenoxy)butyl]imidazole
0
aromatic ether;
imidazoles;
monochlorobenzenes		00low000000
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
0
aromatic ether;
C-nitro compound		00low000000
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
0
aromatic ether;
C-nitro compound		00low000000
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide
0
aromatic ether00low000000
hydroxypioglitazone
0
aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite00low000000
sc-19220
0
aromatic ether00low000000
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester
0
aromatic ether00low000000
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
0
aromatic ether00low000000
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
0
aromatic ether00low000000
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide
0
aromatic ether00low000000
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
0
aromatic ether;
substituted aniline		00low000000
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
0
aromatic ether00low000000
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol
0
aromatic ether00low000000
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene
0
aromatic ether00low000000
fraxin
0
aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite		00low000000
fraxetin
0
aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent		00low000000
5,6-dehydrokawain
0
2-pyranones;
aromatic ether		00low000000
coniferin
0
aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative		plant metabolite00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
kavain
0
2-pyranones;
aromatic ether		00low000000
methysticin
0
2-pyranones;
aromatic ether		00low000000
yangonin
0
2-pyranones;
aromatic ether		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
gentiacaulein
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
gentisin
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
isogentisin
0
aromatic ether;
polyphenol;
xanthones		EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
1,8-dihydroxy-3,7-dimethoxyxanthone
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
swerchirin
0
aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite		00low000000
1,2,8-trihydroxy-6-methoxyxanthone
0
aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
sofalcone
0
aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite		00low000000
neticonazole
0
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
pibutidine
0
aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound		anti-ulcer drug;
H2-receptor antagonist		00low000000
purmorphamine
0
aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist		00low000000
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
0
aromatic ether00low000000
ro 41-5253
0
aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist		00low000000
glycycoumarin
0
aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite		00low000000
isoginkgetin
0
aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite		00low000000
neoglycyrol
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite		00low000000
rhamnazin
0
aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
lichexanthone
0
aromatic ether;
phenols;
xanthones		plant metabolite00low000000
alternariol monomethyl ether
0
aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin		00low000000
decussatin
0
aromatic ether;
phenols;
xanthones		plant metabolite00low000000
bedaquiline
0
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor		00low000000
dimethomorph
0
aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide		00low000000
benanomicin b
0
aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
pradimicin b
0
aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
1,7-dihydroxy-4-methoxyxanthone
0
aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite		00low000000
pradimicin a
0
aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol		00low000000
ici 118551
0
aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
ochnaflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite		00low000000
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
0
aromatic ether00low000000
flavasperone
0
aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite		00low000000
4-hydroxycordoin
0
aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite		00low000000
n-feruloylserotonin
0
aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite00low000000
tyrphostin ag825
0
aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist00low000000
kresoxim-methyl
0
aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic		00low000000
5-methoxy-3,6-diphenyl-1,2,4-triazine
0
aromatic ether00low000000
piericidin a
0
aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol		antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor		00low000000
metrafenone
0
aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound		antifungal agrochemical00low000000
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide
0
(trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes		00low000000
b 43
0
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		00low000000
5-(4-phenylbutoxy)psoralen
0
aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker		00low000000
5-ia-85380
0
aromatic ether00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
altenusin
0
aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite		00low000000
bay 58-2667
0
aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
camostat
0
aromatic ether;
phenols		00low000000
lenvatinib
0
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
lobeglitazone
0
aromatic ether00low000000
etomoxir
0
aromatic ether00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
sb 3ct compound
0
aromatic ether00low000000
varespladib methyl
0
aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug		00low000000
dapagliflozin
0
aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		00low000000
naveglitazar
0
aromatic ether00low000000
tivozanib
0
aromatic ether00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
ustiloxin b
0
aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
tryprostatin a
0
aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine		breast cancer resistance protein inhibitor00low000000
cediranib
0
aromatic ether00low000000
3-iodothyronamine
0
aromatic ether00low000000
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride
0
aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator		00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
7,8-Dihydroyangonin
0
2-pyranones;
aromatic ether		00low000000
sch 51344
0
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent00low000000
ancistroealaine a
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug		00low000000
pimavanserin
0
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist		00low000000
tolfenpyrad
0
aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
SIS3 free base
0
aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor00low000000
apixaban
0
aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
dihydrokavain
0
2-pyranones;
aromatic ether		00low000000
troglitazone sulfate
0
aromatic ether;
thiazolidinone		00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
saracatinib
0
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		00low000000
fonsecinone a
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
aiphanol
0
aromatic ether;
benzodioxine;
lignan;
stilbenoid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor00low000000
nigerloxin
0
aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger		00low000000
msdc-0160
0
aromatic ether00low000000
dihydroxanthohumol
0
aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
PB28
0
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		00low000000
7-phloroeckol
0
aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
PDGF receptor tyrosine kinase inhibitor III
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
regorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		00low000000
erastin
0
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		00low000000
brivanib
0
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
fg-4592
0
aromatic ether;
isoquinolines;
N-acylglycine		EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor		00low000000
cenicriviroc
0
aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist		00low000000
mandipropamid
0
aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound		00low000000
glyceryl ferulate
0
1-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter		00low000000
ki 8751
0
aromatic ether00low000000
ceratamine a
0
alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite		00low000000
azd 8931
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
bay94 9172
0
(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent00low000000
olodaterol
0
aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
dorsomorphin
0
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		00low000000
cj-042794
0
aromatic ether00low000000
hu 308
0
aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist		00low000000
ki11502
0
aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
apremilast
0
aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
PF-00835231
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
chir-265
0
aromatic ether00low000000
aminocandin
0
aromatic ether;
echinocandin;
homodetic cyclic peptide		antiinfective agent00low000000
zk 756326
0
aromatic ether00low000000
bay 60-6583
0
aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide		adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent		00low000000
empagliflozin
0
aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		00low000000
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
0
aromatic ether00low000000
n-desmethylrosiglitazone
0
aromatic ether00low000000
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
0
aromatic ether00low000000
verruculogen
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		00low000000
1-O-feruloyl-beta-D-glucose
0
aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite		00low000000
2,2',4,5'-tetrabromodiphenyl ether
0
aromatic ether;
organobromine compound		00low000000
hexabromodiphenyl ether 154
0
aromatic ether;
organobromine compound		00low000000
bde 183
0
aromatic ether;
organobromine compound		00low000000
l-798106
0
aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide		prostaglandin receptor antagonist00low000000
aflatoxin m1
0
aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite		00low000000
macitentan
0
aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides		antihypertensive agent;
endothelin receptor antagonist;
orphan drug		00low000000
CDN1163
0
aromatic ether;
quinolines;
secondary carboxamide		SERCA activator00low000000
e 7050
0
aromatic ether00low000000
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
0
aromatic ether00low000000
dafadine C
0
aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines		P450 inhibitor00low000000
dafadine B
0
aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines		P450 inhibitor00low000000
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide
0
aromatic ether00low000000
violaceol II
0
aromatic ether;
catechols;
resorcinols		mycotoxin00low000000
pamapimod
0
aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cnf 2024
0
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		00low000000
uk 453,061
0
aromatic ether00low000000
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
0
aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound		00low000000
zm323881
0
aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist00low000000
compound w
0
aromatic ether00low000000
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
interiotherin b
0
aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite		00low000000
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one
0
aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite		00low000000
diorcinol
0
aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite		00low000000
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
mk 5108
0
aromatic ether00low000000
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
0
aromatic ether00low000000
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines		geroprotector;
P450 inhibitor		00low000000
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
0
aromatic ether00low000000
dafadine O
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly		P450 inhibitor00low000000
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
0
aromatic ether00low000000
pci 32765
0
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
AMG-208
0
aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
6-methoxyspirotryprostatin b
0
aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite		00low000000
lucitanib
0
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist		00low000000
act-132577
0
aromatic ether;
organobromine compound;
pyrimidines;
sulfamides		antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
gsk 2126458
0
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		00low000000
gsk 1363089
0
aromatic ether00low000000
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
0
aromatic ether00low000000
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
0
aromatic ether00low000000
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
0
aromatic ether00low000000
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
0
aromatic ether00low000000
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
0
aromatic ether00low000000
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
0
aromatic ether00low000000
monepantel
0
(trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide		anthelminthic drug;
nematicide		00low000000
an2728
0
aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
grazoprevir
0
aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent		00low000000
hordatine a
0
aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite		00low000000
kavain
0
2-pyranones;
aromatic ether		00low000000
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
0
aromatic ether00low000000
tak-632
0
(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
quinolobactin
0
aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore		00low000000
AZD1979
0
aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes		melanin-concentrating hormone receptor antagonist00low000000
ML240
0
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent00low000000
aripiprazole lauroxil
0
aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist		00low000000
abt-199
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
xl765
0
aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide
0
aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes		00low000000
pf 4800567
0
aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
propenylphosphonic acid
0
aromatic ether00low000000
abt-333
0
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor		00low000000
naloxegol
0
aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist		00low000000
ceritinib
0
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
MK-8353
0
aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
HG-10-102-01
0
aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide
0
aromatic ether00low000000
saroglitazar
0
aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist		00low000000
fertaric acid
0
aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative		00low000000
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
DDR1-IN-1
0
(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
MLI-2
0
aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
ap20187
0
aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand00low000000
methysticin
0
2-pyranones;
aromatic ether		00low000000
biliatresone
0
aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin		00low000000
tak 491
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug		00low000000
azilsartan
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent		00low000000
mirodenafil
0
aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		00low000000
cerulomycin
0
aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
undecylprodigiosin
0
alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent		00low000000
sb-590885
0
aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound		00low000000
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
0
aromatic ether00low000000
PF-07304814
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug		00low000000
dinitrochlorobenzene
0
C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser		00low000000
bupropion
0
aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic		00low000000
pk 11195
0
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent00low000000
1-(3-chlorophenyl)biguanide
0
biguanides;
monochlorobenzenes		00low000000
1-(3-chlorophenyl)piperazine
0
monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic		00low000000
chlorocresol
0
hydroxytoluene;
monochlorobenzenes		antimicrobial agent;
disinfectant;
ryanodine receptor agonist		00low000000
win 53338
0
isoxazoles;
monochlorobenzenes		antiviral agent00low000000
acemetacin
0
carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
amlodipine
0
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
azelastine
0
monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor		00low000000
azosemide
0
monochlorobenzenes;
sulfonamide;
tetrazoles;
thiophenes		loop diuretic00low000000
baclofen
0
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		00low000000
carbinoxamine
0
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist		00low000000
carbonyl cyanide m-chlorophenyl hydrazone
0
hydrazone;
monochlorobenzenes;
nitrile		antibacterial agent;
geroprotector;
ionophore		00low000000
cetirizine
0
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic		00low000000
chlorhexidine
0
biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent		00low000000
chlormezanone
0
1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant		00low000000
chloroxylenol
0
monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide		00low000000
chlorphenesin carbamate
0
carbamate ester;
monochlorobenzenes;
secondary alcohol		muscle relaxant00low000000
chlorpheniramine
0
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		00low000000
chlorpropamide
0
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		00low000000
chlorpropham
0
benzenes;
carbamate ester;
monochlorobenzenes		herbicide;
plant growth retardant		00low000000
chlorthalidone
0
isoindoles;
monochlorobenzenes;
sulfonamide		00low000000
clemizole
0
benzimidazoles;
monochlorobenzenes;
pyrrolidines		histamine antagonist00low000000
clofazimine
0
monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug		00low000000
clonazepam
0
1,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator		00low000000
clorprenaline
0
ethanolamines;
monochlorobenzenes;
secondary amino compound		00low000000
clotrimazole
0
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		00low000000
dichlorodiphenyl dichloroethylene
0
chlorophenylethylene;
monochlorobenzenes		human xenobiotic metabolite;
persistent organic pollutant		00low000000
ddt
0
benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant		00low000000
econazole
0
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes		00low000000
glyburide
0
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		00low000000
hydroxyzine
0
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist		00low000000
ketamine
0
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		00low000000
lofepramine
0
aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant00low000000
loperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		00low000000
metoclopramide
0
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		00low000000
moclobemide
0
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		00low000000
nemonapride
0
benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline		00low000000
niclosamide
0
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		00low000000
ag 1879
0
aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		00low000000
pyrimethamine
0
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		00low000000
sulconazole
0
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide		00low000000
ticlopidine
0
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
trazodone
0
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		00low000000
zomepirac
0
aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug		00low000000
dichlorodiphenyldichloroethane
0
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		xenobiotic metabolite00low000000
systhane
0
monochlorobenzenes;
nitrile;
triazoles		00low000000
buclizine
0
monochlorobenzenes;
N-alkylpiperazine		antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic		00low000000
bis(p-chlorophenyl)acetic acid
0
monocarboxylic acid;
monochlorobenzenes		00low000000
1-chloro-2-nitrobenzene
0
C-nitro compound;
monochlorobenzenes		00low000000
picryl chloride
0
C-nitro compound;
monochlorobenzenes		allergen;
epitope;
explosive;
hapten		00low000000
3,3'-dichlorobenzidine
0
biphenyls;
monochlorobenzenes;
organochlorine compound		00low000000
2-methyl-4-chlorophenoxyacetic acid
0
chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin		00low000000
3-chloro-4-methylaniline
0
chloroaniline;
monochlorobenzenes		avicide00low000000
4-chloro-1,2-diaminobenzene
0
monochlorobenzenes00low000000
fentichlor
0
aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol		antiinfective agent;
drug allergen		00low000000
dyrene
0
monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical00low000000
triclocarban
0
dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic		00low000000
barban
0
acetylenic compound;
carbamate ester;
monochlorobenzenes		herbicide00low000000
chlorphenesin
0
glycol;
monochlorobenzenes;
propane-1,2-diols		antibacterial drug;
antifungal drug;
muscle relaxant		00low000000
4-chlorotoluene
0
monochlorobenzenes00low000000
4-chloroaniline
0
chloroaniline;
monochlorobenzenes		00low000000
chlorobenzene
0
monochlorobenzenessolvent00low000000
dicofol
0
monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol		00low000000
tetradifon
0
monochlorobenzenes;
organochlorine acaricide;
sulfone;
trichlorobenzene		00low000000
chloroprocaine
0
benzoate ester;
monochlorobenzenes		central nervous system depressant;
local anaesthetic;
peripheral nervous system drug		00low000000
monuron
0
3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic		00low000000
5-chlorosalicylic acid
0
chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid		00low000000
cloflucarban
0
monochlorobenzenes;
phenylureas		antibacterial agent00low000000
4-chloroacetanilide
0
acetamides;
monochlorobenzenes		00low000000
pyrrolnitrin
0
alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles		antifungal drug;
bacterial metabolite		00low000000
4-chloro-2-cresol
0
monochlorobenzenes;
phenols		00low000000
4-chlorophenylacetic acid
0
monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite00low000000
4,4'-dichlorobiphenyl
0
dichlorobiphenyl;
monochlorobenzenes		00low000000
4-chlorocatechol
0
chlorocatechol;
monochlorobenzenes		bacterial xenobiotic metabolite00low000000
2-chloro-4-aminobenzoic acid
0
aminobenzoic acid;
monochlorobenzenes		00low000000
ddms
0
chlorophenylethane;
monochlorobenzenes		00low000000
4-bromo-2-chlorophenol
0
halophenol;
monochlorobenzenes;
organobromine compound		00low000000
3-chlorocatechol
0
chlorocatechol;
monochlorobenzenes		00low000000
4-chlorophenoxyacetic acid
0
chlorophenoxyacetic acid;
monochlorobenzenes		phenoxy herbicide00low000000
clemastine
0
monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist		00low000000
chlortoluron
0
monochlorobenzenes;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
methoxuron
0
3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene		agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic		00low000000
benthiocarb
0
monochlorobenzenes;
monothiocarbamic ester		00low000000
2,4'-dichlorobiphenyl
0
dichlorobiphenyl;
monochlorobenzenes		00low000000
diflubenzuron
0
benzoylurea insecticide;
monochlorobenzenes		insect sterilant00low000000
profenofos
0
monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
benoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
closantel
0
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols		00low000000
fenarimol
0
monochlorobenzenes;
pyrimidines;
tertiary alcohol		00low000000
butoconazole
0
aryl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		00low000000
chlorsulfuron
0
methoxy-1,3,5-triazine;
monochlorobenzenes;
N-sulfonylurea		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
2,3,4,4'5-pentachlorobiphenyl
0
monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene		00low000000
clomazone
0
isoxazolidinone;
monochlorobenzenes		agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic		00low000000
clopidogrel
0
methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
eliprodil
0
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		00low000000
flucofuron
0
(trifluoromethyl)benzenes;
monochlorobenzenes;
organochlorine pesticide;
organofluorine pesticide;
phenylureas		epitope00low000000
3-chloroperbenzoic acid
0
monochlorobenzenes;
peroxy acid		00low000000
clofentezine
0
monochlorobenzenes;
organochlorine acaricide;
tetrazine		mite growth regulator;
tetrazine acaricide		00low000000
tebuconazole
0
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
cyproconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
0
monochlorobenzenes;
nitrile;
triazoles		00low000000
metconazole
0
conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
2-amino-5-chlorophenol
0
monochlorobenzenes;
phenols;
primary amino compound		00low000000
pencycuron
0
monochlorobenzenes;
phenylureas		antifungal agrochemical00low000000
fluazinam
0
(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic		00low000000
flufenoxuron
0
(trifluoromethyl)benzenes;
benzoylurea insecticide;
difluorobenzene;
monochlorobenzenes;
monofluorobenzenes		mite growth regulator00low000000
chlorfenapyr
0
hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		proacaricide;
proinsecticide		00low000000
3-chloro-L-tyrosine
0
chloroamino acid;
L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monochlorobenzenes;
non-proteinogenic L-alpha-amino acid		biomarker;
human metabolite		00low000000
rh-0345
0
bisacylhydrazine insecticide;
monochlorobenzenes		00low000000
3-chloro-4-hydroxyphenylacetic acid
0
hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols		mammalian metabolite00low000000
vatalanib
0
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
carpropamid
0
amide fungicide;
cyclopropylcarboxamide;
monochlorobenzenes		antifungal agrochemical;
EC 4.2.1.94 (scytalone dehydratase) inhibitor;
melanin synthesis inhibitor;
xenobiotic		00low000000
tipifarnib
0
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile
0
monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		acaricide;
antifouling biocide;
insecticide		00low000000
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide
0
anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
4-chlorocinnamic acid
0
monochlorobenzenes00low000000
oncrasin-1
0
arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer		00low000000
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile
0
monochlorobenzenes;
nitrile;
pyrimidone;
triazoles		00low000000
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
0
monochlorobenzenes;
pyrimidone;
secondary carboxamide		00low000000
capsazepine
0
benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist00low000000
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea
0
1,3-thiazoles;
monochlorobenzenes;
phenylureas;
thiophenes		00low000000
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
0
anilide fungicide;
monocarboxylic acid amide;
monochlorobenzenes;
organosulfur compound;
thiadiazoles		antifungal agrochemical00low000000
4-chlorobenzoyl coenzyme a
0
chlorobenzoyl-CoA;
monochlorobenzenes		00low000000
epoxiconazole
0
epoxide;
monochlorobenzenes;
monofluorobenzenes;
triazoles		00low000000
l 663536
0
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		00low000000
brl 15572
0
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		00low000000
ML162
0
monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes		EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer		00low000000
clopidogrel carboxylic acid
0
monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite		00low000000
sb 415286
0
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		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
kn 93
0
monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound		EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector		00low000000
8-(3-chlorostyryl)caffeine
0
monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor		00low000000
4-chlorochalcone
0
chalcones;
monochlorobenzenes		00low000000
cinidon-ethyl
0
ethyl ester;
isoindoles;
monochlorobenzenes		herbicide00low000000
proguanil
0
biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
clovoxamine
0
5-methoxyvalerophenone O-(2-aminoethyl)oxime;
monochlorobenzenes		antidepressant00low000000
ascofuranone
0
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
uniconazole
0
monochlorobenzenes;
secondary alcohol;
triazoles		00low000000
lumefantrine
0
fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial00low000000
strobilurin b
0
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
ekb 569
0
aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor00low000000
prothioconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
thiocarbonyl compound;
triazoles		00low000000
aminopurvalanol a
0
monochlorobenzenes;
purvalanol		protein kinase inhibitor00low000000
chlorhexidine
0
biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent		00low000000
n-demethylloperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		drug metabolite00low000000
solabegron
0
carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist00low000000
ki16425
0
carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide		00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
benzobicyclon
0
aromatic ketone;
carbobicyclic compound;
cyclic ketone;
monochlorobenzenes;
organic sulfide;
sulfone		00low000000
ascochlorin
0
cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
MI-63
0
azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer00low000000
pd 0348292
0
monochlorobenzenes;
monofluorobenzenes;
pyridone;
pyrrolidines;
secondary carboxamide;
ureas		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
serine protease inhibitor		00low000000
methampicillin
0
monochlorobenzenes;
tertiary alcohol;
triazoles		brassinosteroid biosynthesis inhibitor00low000000
gdc 0449
0
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		00low000000
cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone
0
1,3-thiazoles;
hydrazone;
monochlorobenzenes		EC 2.3.1.48 (histone acetyltransferase) inhibitor00low000000
plx4032
0
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
ulixacaltamide
0
benzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide		non-narcotic analgesic;
T-type calcium channel blocker		00low000000
fluazaindolizine
0
aromatic amide;
imidazopyridine;
monocarboxylic acid amide;
monochlorobenzenes;
monomethoxybenzene;
N-sulfonylcarboxamide;
organofluorine pesticide		agrochemical;
nematicide		00low000000
ML-210
0
C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug		00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
MS-417
0
methyl ester;
monochlorobenzenes;
thienotriazolodiazepine		00low000000
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone
0
aryl phosphate;
monochlorobenzenes;
quinazolines		fluorochrome00low000000
liproxstatin-1
0
azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
acetaminophen
0
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
amfenac
0
amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
aspirin
0
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		00low000000
fenoprofen
0
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
ibuprofen
0
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		00low000000
ketorolac
0
amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
fenoprofen calcium
0
hydrateantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
droxicam
0
organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug		00low000000
ketorolac tromethamine
0
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		00low000000
nitroflurbiprofen
0
biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
valerylsalicylate
0
benzoic acids;
salicylates;
valerate ester		cyclooxygenase 1 inhibitor00low000000
nepafenac
0
monocarboxylic acid amidecyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
naproxen
0
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		00low000000
(+)-epicatechin
0
catechin;
polyphenol		cyclooxygenase 1 inhibitor;
plant metabolite		00low000000
dexketoprofen
0
benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
myricetin
0
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		00low000000
centaureidin
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite		00low000000
eupomatenoid 6
0
benzofurans;
phenols		anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite		00low000000
ahr 5850
0
organic sodium saltcyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		00low000000
naproxen sodium
0
organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
piroxicam
0
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		00low000000
enprofylline
0
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		00low000000
acemetacin
0
carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
alminoprofen
0
amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
ampyrone
0
primary amino compound;
pyrazolone		antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
amlexanox
0
monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug		00low000000
amodiaquine
0
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		00low000000
ampiroxicam
0
acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide		analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
antipyrine
0
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
acetovanillone
0
acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite		00low000000
bendazac
0
indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger		00low000000
bufexamac
0
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
carprofen
0
carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent		00low000000
celecoxib
0
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
clofazimine
0
monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug		00low000000
diclofenac
0
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
diflunisal
0
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
etodolac
0
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
4-biphenylylacetic acid
0
biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug00low000000
fenbufen
0
4-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug00low000000
flufenamic acid
0
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flurbiprofen
0
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
glafenine
0
aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
indomethacin
0
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		00low000000
indoprofen
0
gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
propyphenazone
0
pyrazolonenon-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
kebuzone
0
methyl ketone;
pyrazolidines		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
ketoprofen
0
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
leflunomide
0
(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		00low000000
loxoprofen
0
cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
meclofenamic acid
0
aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
mefenamic acid
0
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		00low000000
mesalamine
0
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug00low000000
metiazinic acid
0
phenothiazinesdrug allergen;
non-steroidal anti-inflammatory drug		00low000000
nabumetone
0
methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
nimesulide
0
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
oxaprozin
0
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		00low000000
oxyphenbutazone
0
phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite		00low000000
phenylbutazone
0
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
proglumetacin
0
aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
rofecoxib
0
butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
salicylsalicylic acid
0
benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
suprofen
0
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		00low000000
suxibuzone
0
hemisuccinate;
monocarboxylic acid;
pyrazolidines		antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug		00low000000
tiaprofenic acid
0
aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug		00low000000
tolmetin
0
aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
zomepirac
0
aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug		00low000000
aminopyrine
0
pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		00low000000
noramidopyrine
0
pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug		00low000000
2-methoxybenzoic acid
0
methoxybenzoic acidflavouring agent;
non-steroidal anti-inflammatory drug		00low000000
benzydamine
0
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		00low000000
ibufenac
0
monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
mofebutazone
0
pyrazolidinesnon-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
acetosyringone
0
acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite		00low000000
bumadizone
0
carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug		00low000000
olsalazine
0
azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug		00low000000
apazone
0
benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug		00low000000
clonixin
0
aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		00low000000
alclofenac
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
oxamethacin
0
aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flunixin
0
aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flunixin meglumine
0
organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
dexibuprofen
0
ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
benoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
pirfenidone
0
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
fendosal
0
benzoindole;
monohydroxybenzoic acid;
pyrroles		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
nedocromil
0
dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug		00low000000
tepoxalin
0
aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
adapalene
0
adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
zileuton
0
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		00low000000
bromfenac
0
aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
baicalin
0
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		00low000000
ibuproxam
0
hydroxamic acidiron chelator;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
lonazolac
0
monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
miroprofen
0
imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		00low000000
flunoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
aceclofenac
0
amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
corilagin
0
ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
eletriptan
0
indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		00low000000
difenpiramide
0
biphenyls;
monocarboxylic acid amide;
pyridines		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
valdecoxib
0
isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
parecoxib
0
isoxazoles;
N-sulfonylcarboxamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
almotriptan
0
indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		00low000000
mk 0663
0
bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
garenoxacin
0
aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug		00low000000
cox 189
0
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
firocoxib
0
butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
cimicoxib
0
aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
salicin
0
aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
tolfenamic acid
0
aminobenzoic acid;
organochlorine compound;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
sulindac
0
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		00low000000
naproxol
0
aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
deracoxib
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
lysine clonixinate
0
organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		00low000000
apigetrin
0
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
caryophyllene
0
beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
rosmarinic acid
0
carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor		00low000000
sulindac sulfide
0
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		00low000000
bay 11-7082
0
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		00low000000
robenacoxib
0
aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
parthenolide
0
sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
naproxen-n-butyl nitrate
0
carboxylic ester;
methoxynaphthalene;
nitrate ester		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
apremilast
0
aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
sodium bromfenac
0
hydratenon-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
tofisopam
0
organic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
meclofenamate sodium anhydrous
0
hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
tolmetin sodium
0
hydrate;
organic sodium salt		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
an2728
0
aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
0
organofluorine compoundnon-steroidal anti-inflammatory drug00low000000
mobic
0
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
mobiflex
0
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		00low000000
isoxicam
0
benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug		00low000000
teriflunomide
0
(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor		00low000000
lornoxicam
0
heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
gallic acid
0
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		00low000000
5-(n,n-hexamethylene)amiloride
0
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker		00low000000
am 251
0
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		00low000000
calmidazolium
0
imidazolium ionapoptosis inducer;
calmodulin antagonist		00low000000
danthron
0
dihydroxyanthraquinoneapoptosis inducer;
plant metabolite		00low000000
disulfiram
0
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		00low000000
ebselen
0
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		00low000000
miltefosine
0
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		00low000000
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide
0
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
methyl methanesulfonate
0
methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen		00low000000
midazolam
0
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		00low000000
entinostat
0
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
niclosamide
0
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		00low000000
nortriptyline
0
organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite		00low000000
4-phenylbutyric acid
0
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		00low000000
oxophenylarsine
0
arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		00low000000
pj-34
0
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		00low000000
sb 202190
0
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
imatinib
0
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		00low000000
vorinostat
0
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine
0
N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator		00low000000
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
0
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
allyl isothiocyanate
0
alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite		00low000000
tributyrin
0
butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent		00low000000
diethyl sulfate
0
alkyl sulfatealkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen		00low000000
n-nitrosopiperidine
0
nitrosamine;
piperidine		apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen		00low000000
ziram
0
dithiocarbamate salt;
zinc molecular entity		antifungal agrochemical;
apoptosis inducer		00low000000
diazooxonorleucine
0
amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist		00low000000
naphthazarin
0
hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite		00low000000
iberin
0
isothiocyanate;
sulfoxide		apoptosis inducer;
plant metabolite;
quorum sensing inhibitor		00low000000
physcione
0
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
0
terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component		00low000000
thallium acetate
0
acetate salt;
thallium molecular entity		apoptosis inducer;
neurotoxin		00low000000
toyocamycin
0
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
2-hydroxyacetanilide
0
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		00low000000
methyl isocyanate
0
isocyanatesallergen;
apoptosis inducer		00low000000
methoxyacetic acid
0
ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen		00low000000
dibromoacetic acid
0
2-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite		00low000000
diallyl trisulfide
0
organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent		00low000000
antimony trichloride
0
antimony molecular entity;
inorganic chloride		apoptosis inducer;
colorimetric reagent;
Lewis acid		00low000000
tetradecanoylphorbol acetate
0
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		00low000000
pyoluteorin
0
aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols		antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite		00low000000
norsalsolinol
0
isoquinolinolanimal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite		00low000000
1-methyl-4-phenylpyridinium
0
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin		00low000000
midazolam hydrochloride
0
hydrochloride;
imidazobenzodiazepine		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		00low000000
staurosporine
0
indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector		00low000000
irinotecan
0
carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
mevastatin
0
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		00low000000
epigallocatechin gallate
0
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		00low000000
salvin
0
abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite		00low000000
tetraiodothyroacetic acid
0
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone		00low000000
toxoflavin
0
carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor		00low000000
lupulon
0
beta-bitter acidangiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer		00low000000
alantolactone
0
naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
isoalantolactone
0
eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite		00low000000
brazilin
0
catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite		00low000000
tetrazolium violet
0
organic chloride saltantineoplastic agent;
apoptosis inducer;
dye		00low000000
irinotecan hydrochloride
0
hydrochlorideantineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
ethyl protocatechuate
0
catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite		00low000000
fluazinam
0
(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic		00low000000
eupatorin
0
dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent		00low000000
atromentin
0
dihydroxy-1,4-benzoquinones;
polyphenol		antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite		00low000000
diosgenin
0
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		00low000000
sn 38
0
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
deguelin
0
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		00low000000
cafestol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		00low000000
kahweol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
5-(tetradecyloxy)-2-furancarboxylic acid
0
aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist		00low000000
tabtoxinine beta-lactam
0
beta-lactam antibiotic;
monobactam;
non-proteinogenic L-alpha-amino acid;
tertiary alpha-hydroxy ketone		apoptosis inducer;
bacterial metabolite;
EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor		00low000000
dioscin
0
hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
ginsenoside rh2
0
12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite		00low000000
imatinib mesylate
0
methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		00low000000
27-hydroxycholesterol
0
26-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
rubimaillin
0
benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
cd 437
0
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist		00low000000
tempol
0
aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger		00low000000
tipifarnib
0
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
sclareol
0
labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite		00low000000
anacardic acid
0
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		00low000000
pectolinarin
0
dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite		00low000000
withaferin a
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
homoharringtonine
0
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor		00low000000
elesclomol
0
carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer		00low000000
anthricin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
nsc 23766
0
aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		00low000000
gant 61
0
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		00low000000
peonidin
0
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite		00low000000
helveticoside
0
14beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ginsenoside rf
0
12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
notoginsenoside r1
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite		00low000000
theasinensin a
0
biflavonoid;
gallate ester;
proanthocyanidin		anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite		00low000000
solasodine
0
alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid		anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent		00low000000
devazepide
0
1,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug		00low000000
carubicin
0
aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer		00low000000
epothilone b
0
epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent		00low000000
bms 214662
0
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
aclarubicin
0
aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
aphidicolin
0
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		00low000000
licocoumarone
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
piperyline
0
benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide		antifungal agent;
apoptosis inducer;
plant metabolite		00low000000
rhapontin
0
rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
p-hydroxycinnamaldehyde
0
cinnamaldehydesapoptosis inducer;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
plant metabolite		00low000000
calmidazolium
0
organic chloride saltapoptosis inducer;
calmodulin antagonist		00low000000
amygdalin
0
amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
3,3',4,5'-tetrahydroxystilbene
0
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		00low000000
4-iodo-6-phenylpyrimidine
0
biaryl;
organoiodine compound;
pyrimidines		antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor		00low000000
oncrasin-1
0
arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer		00low000000
cct018159
0
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
aurapten
0
coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary		00low000000
10058-F4
0
olefinic compound;
thiazolidinone		antineoplastic agent;
apoptosis inducer		00low000000
u 0126
0
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		00low000000
bms 387032
0
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
vx-745
0
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
bigelovin
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite		00low000000
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
0
benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
sb 415286
0
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		00low000000
alsterpaullone
0
C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor		00low000000
fraxetin
0
aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent		00low000000
luteolin
0
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		00low000000
herbacetin
0
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite		00low000000
oleuropein
0
beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside		anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger		00low000000
baicalein
0
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		00low000000
diosmetin
0
3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent		00low000000
hispidulin
0
monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
pterostilbene
0
diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
rottlerin
0
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		00low000000
plaunotol
0
diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary		00low000000
tocotrienol, beta
0
tocotrienol;
vitamin E		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
gamma-tocotrienol
0
tocotrienol;
vitamin E		antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent		00low000000
tocotrienol, delta
0
tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite		00low000000
9,11-linoleic acid
0
octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite		00low000000
2,4-decadienal
0
polyunsaturated fatty aldehydeapoptosis inducer;
nematicide		00low000000
natamycin
0
antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug		00low000000
t-2 toxin
0
acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
herbimycin
0
1,4-benzoquinones;
lactam;
macrocycle		antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor		00low000000
ro 41-5253
0
aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist		00low000000
casticin
0
dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite		00low000000
3,3'-di-o-methylquercetin
0
3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
oridonin
0
cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
pd 166866
0
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
ag-490
0
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		00low000000
mitoguazone
0
guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor		00low000000
ermanin
0
dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
bay 11-7085
0
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		00low000000
flavokawain b
0
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
pipercallosidine
0
alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite		00low000000
jaceosidin
0
dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
cisplatin
0
diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent		00low000000
sulindac sulfone
0
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		00low000000
lespenefril
0
alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite		00low000000
baohuoside i
0
glycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
0
enone;
pyridines		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor		00low000000
coronardine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
bafilomycin a1
0
cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin		00low000000
columbianadin
0
alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite		00low000000
germacrone
0
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		00low000000
manumycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite		00low000000
thermozymocidin
0
alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent		00low000000
salvianolic acid B
0
1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite		00low000000
tanespimycin
0
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
soblidotin
0
tetrapeptideantineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent		00low000000
on 01910
0
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent		00low000000
alpha-solanine
0
glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite		00low000000
2-hydroxy-9-cis-octadecenoic acid
0
2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid		antihypertensive agent;
antineoplastic agent;
apoptosis inducer		00low000000
dolastatin 10
0
1,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent		00low000000
jasplakinolide
0
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		00low000000
mocetinostat
0
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		00low000000
scio-469
0
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
cp 724714
0
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent		00low000000
hmr 1275
0
hydrochlorideantineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
ginsenoside f2
0
12beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
ginsenoside rg3
0
ginsenoside;
glycoside;
tetracyclic triterpenoid		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
jte 607
0
hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug		00low000000
npi 2358
0
2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
osu 03012
0
antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
ly2090314
0
diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator		00low000000
avenanthramide b
0
amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin		00low000000
HT-2 toxin
0
acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite		00low000000
delphinidin 3-sambubioside
0
anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite		00low000000
bl1521
0
enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
binimetinib
0
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
aee 788
0
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug		00low000000
saracatinib
0
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		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
triptohypol C
0
benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite		00low000000
PB28
0
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		00low000000
ym 155
0
organic bromide saltantineoplastic agent;
apoptosis inducer;
survivin suppressant		00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
brivanib
0
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
rx-3117
0
organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug		00low000000
np 031112
0
benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
laurinterol
0
organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
MI-63
0
azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer00low000000
ki11502
0
aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
idelalisib
0
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
ginsenoside rd
0
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary		00low000000
amrubicinol
0
diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
forapin
0
peptidyl amide;
polypeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom		00low000000
pevonedistat
0
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer		00low000000
tg101209
0
N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
nsc 23766
0
hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		00low000000
sm 164
0
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		00low000000
scalaradial
0
acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid		animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker		00low000000
nnc 55-0396
0
hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine
0
1,2-diacyl-sn-glycero-3-phosphocholine;
aldehyde		apoptosis inducer00low000000
borrelidin
0
aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
olaparib
0
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
lcl161
0
1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer		00low000000
delanzomib
0
C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor		00low000000
sch772984
0
biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
niraparib
0
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent		00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
0
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
asp3026
0
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor		00low000000
entrectinib
0
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
TAK-580
0
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		00low000000
ixazomib
0
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		00low000000
cx 5461
0
diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor		00low000000
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
0
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		00low000000
GDC-0623
0
hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		00low000000
cblc137
0
aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator		00low000000
jadomycin b
0
glycoside;
jadomycin;
organic heteropentacyclic compound		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite		00low000000
tak-632
0
(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor		00low000000
jq1 compound
0
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		00low000000
gilteritinib
0
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
abt-199
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
pracinostat
0
benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
physalin f
0
enone;
epoxy steroid;
lactone;
physalin		antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent		00low000000
chir 98014
0
aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator		00low000000
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide
0
acetamides;
hydroxyindoles;
tryptamines		antineoplastic agent;
apoptosis inducer;
plant metabolite		00low000000
lfm a13
0
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		00low000000
AZD3463
0
aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
MK-8353
0
aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
acp-196
0
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
gsk343
0
aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor		00low000000
ly3009120
0
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
sr9243
0
bromobenzenes;
sulfonamide;
sulfone		antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist		00low000000
ldc4297
0
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
duramycin
0
heterodetic cyclic peptide;
macrocycle		antimicrobial agent;
apoptosis inducer;
bacterial metabolite		00low000000
cigb-300
0
heterodetic cyclic peptide;
polypeptide		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
BDA-366
0
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer		00low000000
THZ531
0
aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
can 508
0
aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
tirapazamine
0
aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer		00low000000
undecylprodigiosin
0
alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent		00low000000
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile
0
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor		00low000000
tilimycin
0
phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin		00low000000
protocatechuic acid
0
catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite		00low000000
aminolevulinic acid
0
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		00low000000
perillic acid
0
alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite		00low000000
pk 11195
0
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent00low000000
pd 173074
0
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
aminopropionitrile
0
aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite		00low000000
7,8-dihydroxyflavone
0
dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
alfuzosin
0
monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
am 580
0
amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist		00low000000
aminoglutethimide
0
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
amsacrine
0
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
anastrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
azathioprine
0
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		00low000000
azelaic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		00low000000
berberine
0
alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker		00low000000
buformin
0
biguanidesantineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent		00low000000
busulfan
0
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		00low000000
camostat
0
benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		00low000000
carmustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
cgs 15943
0
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		00low000000
chelerythrine
0
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		00low000000
chlorambucil
0
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
ci 994
0
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
ciglitazone
0
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		00low000000
cl 387785
0
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
clioquinol
0
monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator		00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		00low000000
dacarbazine
0
imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug		00low000000
dequalinium
0
quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
3,3'-diindolylmethane
0
indolesantineoplastic agent;
P450 inhibitor		00low000000
doxazosin
0
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		00low000000
ellipticine
0
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		00low000000
embelin
0
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite		00low000000
emodin
0
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		00low000000
etanidazole
0
C-nitro compound;
imidazoles;
monocarboxylic acid amide		alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent		00low000000
etidronate
0
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		00low000000
fluorouracil
0
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		00low000000
flutamide
0
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		00low000000
beta-thujaplicin
0
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
hydroxyurea
0
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		00low000000
ifosfamide
0
ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic		00low000000
indole-3-carbinol
0
indolyl alcoholantineoplastic agent;
plant metabolite		00low000000
beta-lapachone
0
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		00low000000
letrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
lomustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
6-anilino-5,8-quinolinedione
0
aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor		00low000000
vitamin k 3
0
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		00low000000
methoxsalen
0
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		00low000000
nocodazole
0
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		00low000000
mitoxantrone
0
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		00low000000
n(1), n(12)-diethylspermine
0
polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent00low000000
nilutamide
0
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		00low000000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
0
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
pd 158780
0
aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
phloretin
0
dihydrochalconesantineoplastic agent;
plant metabolite		00low000000
pipobroman
0
N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent		00low000000
procarbazine
0
benzamides;
hydrazines		antineoplastic agent00low000000
semustine
0
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent		00low000000
streptonigrin
0
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		00low000000
SU6656
0
oxindoles;
sulfonamide		antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
sulforaphane
0
isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite		00low000000
suramin
0
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis 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		00low000000
temozolomide
0
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		00low000000
terazosin
0
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
2,2'-thiodiethanol
0
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
troglitazone
0
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
mitomycin
0
mitomycinalkylating agent;
antineoplastic agent		00low000000
prednisolone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic		00low000000
floxuridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		00low000000
prednisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug		00low000000
estrone
0
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		00low000000
azauridine
0
N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite		00low000000
mechlorethamine hydrochloride
0
hydrochlorideantineoplastic agent00low000000
vincristine
0
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		00low000000
methyltestosterone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent		00low000000
dromostanolone
0
17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent		00low000000
bromodeoxyuridine
0
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		00low000000
ethyl methanesulfonate
0
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent		00low000000
triaziquone
0
1,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent		00low000000
tubercidin
0
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		00low000000
cytarabine
0
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		00low000000
trifluridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		00low000000
medroxyprogesterone acetate
0
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		00low000000
fluoxymesterone
0
11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent		00low000000
rotenone
0
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		00low000000
acetopyrrothine
0
acetamides;
dithiolopyrrolone antibiotic		angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin		00low000000
phenformin
0
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent		00low000000
dibenzoylmethane
0
aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite		00low000000
suramin sodium
0
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		00low000000
pyrazolanthrone
0
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		00low000000
azacitidine
0
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent00low000000
diazomethane
0
diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison		00low000000
procarbazine hydrochloride
0
hydrochlorideantineoplastic agent00low000000
liriodenine
0
alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
lucanthone
0
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		00low000000
plumbagin
0
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		00low000000
aloe emodin
0
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		00low000000
emetine
0
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		00low000000
thymoquinone
0
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		00low000000
podophyllotoxin
0
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		00low000000
dequalinium chloride
0
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
formestane
0
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
chlorotrianisene
0
chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen		00low000000
megestrol acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
hadacidin
0
aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent		00low000000
2-fluoroadenine
0
organofluorine compound;
purines		antineoplastic agent00low000000
tetramethylpyrazine
0
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
guanazole
0
aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor		00low000000
diallyl disulfide
0
organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite		00low000000
phenethyl isothiocyanate
0
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		00low000000
glaucine
0
aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite		00low000000
acadesine
0
1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor		00low000000
doxifluridine
0
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		00low000000
megestrol
0
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
mitomycin a
0
ether;
mitomycin		alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin		00low000000
cladribine
0
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		00low000000
tabersonine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite		00low000000
vidarabine
0
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		00low000000
cyclophosphamide
0
hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent		00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
etidronate disodium
0
organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator		00low000000
camptothecin
0
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		00low000000
isopentenyladenosine
0
N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite		00low000000
nsc-145,668
0
hydrochlorideantimetabolite;
antineoplastic agent		00low000000
ancitabine
0
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
clodronic acid
0
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		00low000000
streptozocin
0
N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite		00low000000
daunorubicin
0
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		00low000000
fludarabine phosphate
0
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		00low000000
2,6-diaminopurine
0
2,6-diaminopurines;
primary amino compound		antineoplastic agent00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
glucaric acid
0
glucaric acidantineoplastic agent00low000000
paclitaxel
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		00low000000
etoposide
0
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		00low000000
promegestone
0
20-oxo steroid;
3-oxo-Delta(4) steroid		antineoplastic agent;
progesterone receptor agonist;
progestin		00low000000
perfosfamide
0
nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite		00low000000
nimustine
0
aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		00low000000
lonidamine
0
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
epirubicin
0
aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
diaziquone
0
1,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent		00low000000
oltipraz
0
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		00low000000
fazarabine
0
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent00low000000
mitoxantrone hydrochloride
0
hydrochlorideantineoplastic agent00low000000
bisantrene
0
anthracenes;
hydrazone;
imidazolidines		antineoplastic agent00low000000
swainsonine
0
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite		00low000000
lovastatin
0
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		00low000000
cabergoline
0
N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist		00low000000
nitrogenase stabilizing-protective protein, bacteria
0
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamideandrogen antagonist;
antineoplastic agent		00low000000
bmy 25067
0
C-nitro compound;
organic disulfide		antineoplastic agent00low000000
brequinar
0
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		00low000000
imiquimod
0
imidazoquinolineantineoplastic agent;
interferon inducer		00low000000
aromasil
0
17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
cidofovir anhydrous
0
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		00low000000
topotecan
0
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
gemcitabine hydrochloride
0
hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent		00low000000
gemcitabine
0
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		00low000000
capecitabine
0
carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
nelfinavir mesylate
0
methanesulfonate saltantineoplastic agent;
HIV protease inhibitor		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
betulinic acid
0
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		00low000000
ro 5-3335
0
1,4-benzodiazepinone;
organochlorine compound;
pyrroles		anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor		00low000000
plerixafor
0
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		00low000000
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
0
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		00low000000
pyrrolidine dithiocarbamate
0
dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger		00low000000
triptonide
0
butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent		00low000000
3'-deoxyadenosine 5'-triphosphate
0
purine ribonucleoside 5'-triphosphateantifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent		00low000000
2-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		00low000000
pinocembrin
0
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		00low000000
tangeretin
0
pentamethoxyflavoneantineoplastic agent;
plant metabolite		00low000000
ethinylestradiol-3-sulfate
0
17beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen		00low000000
bromopyruvate
0
2-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid		alkylating agent;
antineoplastic agent		00low000000
enrofloxacin
0
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		00low000000
dexrazoxane
0
razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent		00low000000
masoprocol
0
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		00low000000
dw a 2114r
0
platinum coordination entity;
pyrrolidines		antineoplastic agent00low000000
prednisolone phosphate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone		anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug		00low000000
hesperetin
0
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
sesamin
0
benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite		00low000000
betulin
0
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
nobiletin
0
methoxyflavoneantineoplastic agent;
plant metabolite		00low000000
picropodophyllin
0
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor		00low000000
kaurenoic acid
0
ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite		00low000000
xanthomicrol
0
dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite		00low000000
voacamine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite		00low000000
uvaretin
0
aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
maslinic acid
0
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
5-(3-methyl-1-triazeno)imidazole-4-carboxamide
0
imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent		00low000000
hydroxyguanidine
0
guanidines;
one-carbon compound		antineoplastic agent;
antiviral agent		00low000000
cryptolepine
0
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite		00low000000
bexarotene
0
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent00low000000
3,4-dihydroxyphenylethanol
0
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		00low000000
terreic acid
0
arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin		00low000000
4-methylumbelliferyl glucuronide
0
beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor		00low000000
9-hydroxyellipticine
0
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent00low000000
nimustine
0
hydrochlorideantineoplastic agent00low000000
beta-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite		00low000000
alpha-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite		00low000000
cryptopleurine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor		00low000000
sugiol
0
abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger		00low000000
1-methyltryptophan
0
non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor		00low000000
alpha-glutamyltryptophan
0
dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite		00low000000
fulvestrant
0
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		00low000000
ici 164384
0
17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
hc toxin
0
homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin		00low000000
fingolimod
0
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		00low000000
tamibarotene
0
dicarboxylic acid monoamide;
retinoid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist		00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
homoorientin
0
flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger		00low000000
selenomethylselenocysteine
0
non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
sc 58125
0
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
marimastat
0
hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor		00low000000
1'-acetoxychavicol acetate
0
acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
clofarabine
0
adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent		00low000000
trapoxin a
0
epoxide;
homodetic cyclic peptide;
ketone		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite		00low000000
celastrol
0
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		00low000000
4'-demethylepipodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent00low000000
aminolevulinic acid hydrochloride
0
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
cgp 42112a
0
benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent		00low000000
vadimezan
0
monocarboxylic acid;
xanthones		antineoplastic agent00low000000
4-carbamoylimidazolium 5-olate
0
hydroxyimidazole;
monocarboxylic acid amide		antineoplastic agent00low000000
nsc 224070
0
1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent		00low000000
psorospermin
0
epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite		00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
methotrexate
0
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		00low000000
3,7-dihydroxytropolone
0
alpha-hydroxy ketone;
cyclic ketone;
enol;
triol		antineoplastic agent;
bacterial metabolite		00low000000
delphinidin
0
5-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite		00low000000
tamsulosin
0
5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent		00low000000
saintopin
0
tetracenequinonesantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator		00low000000
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene
0
monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite		00low000000
ilomastat
0
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		00low000000
abiraterone
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor		00low000000
pomalidomide
0
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		00low000000
selenomethylselenocysteine
0
amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine		antineoplastic agent00low000000
10-propargyl-10-deazaaminopterin
0
N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		00low000000
docetaxel
0
hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent00low000000
docetaxel anhydrous
0
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		00low000000
lonafarnib
0
4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
6-azauridine-5'-monophosphate
0
N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue		antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
ptk 787
0
succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
vatalanib
0
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
cyc 682
0
nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug		00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
methyl 5-aminolevulinate hydrochloride
0
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
methyl 5-aminolevulinate
0
delta-amino acid esterantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		00low000000
aklavinone
0
anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent00low000000
i-677
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
anonaine
0
aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle		antineoplastic agent;
antiplasmodial drug;
trypanocidal drug		00low000000
4'-demethyldesoxypodophyllotoxin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite		00low000000
salvigenin
0
monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite		00low000000
deferrioxamine e
0
cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore		00low000000
ampelopsin
0
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		00low000000
methylselenic acid
0
one-carbon compound;
organoselenium compound		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite		00low000000
acetyl aleuritolic acid
0
acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite		00low000000
withanolide d
0
20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
cirsilineol
0
dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite		00low000000
6-methylthiohexyl isothiocyanate
0
isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent		00low000000
albicanol
0
carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid		antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite		00low000000
5-o-methylembelin
0
enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite		00low000000
asperphenamate
0
benzamides;
carboxylic ester;
L-phenylalanine derivative		antineoplastic agent00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
erlotinib hydrochloride
0
hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor		00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
helioxanthin
0
benzodioxoles;
furonaphthodioxole;
lignan		anti-HBV agent;
antineoplastic agent;
plant metabolite		00low000000
top 53
0
furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
5-heptadecylresorcinol
0
5-alkylresorcinolantineoplastic agent;
plant metabolite		00low000000
minquartynoic acid
0
acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne		antimalarial;
antineoplastic agent;
antiviral agent		00low000000
scutellarin
0
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
2,5-dihydroxybenzyl alcohol
0
aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite		00low000000
chrysosplenol c
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
antiviral agent;
plant metabolite		00low000000
lanperisone
0
2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-oneantineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker		00low000000
(-)-gallocatechin gallate
0
catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite		00low000000
orantinib
0
monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
lapatinib
0
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
2-(4-morpholinoanilino)-6-cyclohexylaminopurine
0
morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent		00low000000
sorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		00low000000
lenalidomide
0
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		00low000000
lasofoxifene
0
aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist		00low000000
l 778,123
0
hydrochlorideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
radiosensitizing agent		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide
0
chloroindole;
organochlorine compound;
sulfonamide		antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
demecolcine
0
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		00low000000
dromostanolone propionate
0
3-oxo-5alpha-steroid;
steroid ester		antineoplastic agent00low000000
vincaleukoblastine
0
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		00low000000
vincristine sulfate
0
organic sulfate saltantineoplastic agent;
geroprotector		00low000000
anisomycin
0
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		00low000000
estramustine
0
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent		00low000000
acivicin
0
isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite		00low000000
wortmannin
0
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		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
acronine
0
acridone derivatives;
alkaloid		antineoplastic agent;
metabolite		00low000000
taiwanin c
0
benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor		00low000000
o-(chloroacetylcarbamoyl)fumagillol
0
carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist		00low000000
bortezomib
0
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		00low000000
carnosine
0
amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
puromycin
0
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		00low000000
pentostatin
0
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor		00low000000
canaline
0
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite		00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
glaucarubinone
0
carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite		00low000000
ginsenoside re
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
ferruginol
0
abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent		00low000000
stevioside
0
beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
naringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
knipholone
0
aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite		00low000000
gingerol
0
beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite		00low000000
mucronulatol
0
hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite		00low000000
syringaresinol
0
syringaresinolantineoplastic agent00low000000
enkephalin, methionine
0
pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist		00low000000
sodium arsenite
0
arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide		00low000000
surfactin c
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant		00low000000
kerriamycin b
0
angucycline antibioticantineoplastic agent00low000000
tretinoin
0
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		00low000000
docosahexaenoate
0
docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical		00low000000
eicosapentaenoic acid
0
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		00low000000
mycophenolic acid
0
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		00low000000
formycin
0
formycinantineoplastic agent00low000000
neocarzinostatin chromophore
0
cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent00low000000
adenosine-5'-(n-ethylcarboxamide)
0
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		00low000000
n(1)-guanyl-1,7-diaminoheptane
0
guanidines;
primary amino compound		antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor		00low000000
diethylstilbestrol
0
olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen		00low000000
epothilone a
0
epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator		00low000000
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine
0
6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor		00low000000
alitretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
teniposide
0
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
steviol
0
bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent00low000000
tiazofurin
0
1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug		00low000000
azaserine
0
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		00low000000
melphalan
0
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		00low000000
prinomastat
0
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor		00low000000
rubitecan
0
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
arsenic trioxide
0
arsenic oxideantineoplastic agent;
insecticide		00low000000
isoliquiritigenin
0
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
vedelianin
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite		00low000000
s 1033
0
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		00low000000
trilostane
0
17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor		00low000000
leuprolide acetate
0
acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
leuprolide
0
oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
mercaptopurine
0
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		00low000000
iFSP1
0
aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor		00low000000
curcumin
0
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		00low000000
xl147
0
aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
mcb-613
0
cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator		00low000000
thioguanine anhydrous
0
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		00low000000
tamoxifen
0
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		00low000000
stattic
0
1-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor		00low000000
krn 7000
0
glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant		00low000000
monastrol
0
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		00low000000
toremifene
0
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
beauvericin
0
cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor		00low000000
nelarabine
0
beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug		00low000000
manool
0
labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
amrubicin
0
anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes		antineoplastic agent;
prodrug;
topoisomerase II inhibitor		00low000000
ospemifene
0
aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
dasatinib
0
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		00low000000
emetine dihydrochloride
0
hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor		00low000000
zd 6474
0
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
l 663536
0
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		00low000000
ginkgetin
0
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
eupatilin
0
dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
quercetin
0
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		00low000000
biochanin a
0
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		00low000000
vitexin
0
C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
apigenin
0
trihydroxyflavoneantineoplastic agent;
metabolite		00low000000
calcitriol
0
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		00low000000
hymecromone
0
hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor		00low000000
chrysoeriol
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite		00low000000
dexmedetomidine
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite		00low000000
bryostatin 1
0
acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist		00low000000
quercetin 3-o-glucopyranoside
0
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite		00low000000
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2
0
prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent		00low000000
genistein
0
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		00low000000
pyrvinium
0
quinolinium ionanthelminthic drug;
antineoplastic agent		00low000000
cyclobenzaprine
0
9,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite		00low000000
butein
0
chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor		00low000000
cucurbitacin i
0
cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite		00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
costunolide
0
germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite		00low000000
eupatolide
0
gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite		00low000000
agathisflavone
0
biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite		00low000000
chrysin
0
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
gartanin
0
polyphenol;
xanthones		antineoplastic agent;
plant metabolite		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
norathyriol
0
polyphenol;
xanthones		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite		00low000000
morin
0
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		00low000000
morusin
0
extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
robustaflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite		00low000000
tricetin
0
pentahydroxyflavoneantineoplastic agent;
metabolite		00low000000
wogonin
0
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		00low000000
daidzein
0
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		00low000000
astringin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
caffeic acid phenethyl ester
0
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		00low000000
maytansine
0
alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator		00low000000
tectochrysin
0
monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant metabolite		00low000000
tranilast
0
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		00low000000
4'-hydroxychalcone
0
chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent		00low000000
isotretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		00low000000
camostat mesylate
0
methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		00low000000
sirolimus
0
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
3',4',7-trihydroxyisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
fenretinide
0
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		00low000000
geldanamycin
0
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor		00low000000
4-oxoretinol
0
cyclic ketone;
enone;
primary allylic alcohol;
retinoid		antineoplastic agent00low000000
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
0
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent		00low000000
vinorelbine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		00low000000
ethyl caffeate
0
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
isoginkgetin
0
aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite		00low000000
cudraflavone c
0
tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
neobavaisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
neoglycyrol
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite		00low000000
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
0
dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor		00low000000
spiraeoside
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
rhamnazin
0
aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
semaxinib
0
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		00low000000
su 11248
0
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		00low000000
palbociclib
0
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
reumycin
0
carbonyl compound;
pyrimidotriazine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
ergosterol-5,8-peroxide
0
3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug		00low000000
romidepsin
0
cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
macluraxanthone b
0
phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite		00low000000
tamsulosin hydrochloride
0
hydrochloridealpha-adrenergic antagonist;
antineoplastic agent		00low000000
batimastat
0
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		00low000000
glyceryl behenate
0
1-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite		00low000000
5,7,3'-trihydroxy-3,4'-dimethoxyflavone
0
dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
pederin
0
cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant		00low000000
artocarpin lectin
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
bleomycin
0
bleomycinantineoplastic agent;
metabolite		00low000000
beta-aminopropionitrile fumarate (2:1)
0
fumarate saltantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite		00low000000
gamma-mangostin
0
phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor		00low000000
demethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
cystothiazole a
0
1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite		00low000000
arglabin
0
epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite		00low000000
ma-1
0
carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor		00low000000
apratoxin a
0
1,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite		00low000000
ascofuranone
0
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
rhizoxin
0
1,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite		00low000000
sibiromycin
0
aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite		00low000000
bryostatin 2
0
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
everolimus
0
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
13(S)-HODE
0
HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite		00low000000
ixabepilone
0
1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent		00low000000
axitinib
0
aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
l 744832
0
benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector		00low000000
sophoraflavanone a
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
manzamine a
0
alkaloid;
beta-carbolines;
isoquinolines		animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite		00low000000
aureothin
0
4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor		00low000000
fostriecin
0
2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor		00low000000
artesunate
0
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		00low000000
ru 58668
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
beta-elemene
0
beta-elemeneantineoplastic agent00low000000
laulimalide
0
carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent		00low000000
jwh-133
0
benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent		00low000000
belinostat
0
hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
panobinostat
0
cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
bml 210
0
dicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
bufalin
0
14beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug		00low000000
rhosin
0
D-tryptophan derivative;
hydrazone;
quinoxaline derivative		antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor		00low000000
s-allylcysteine
0
L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite		00low000000
plitidepsin
0
didemninanticoronaviral agent;
antineoplastic agent;
marine metabolite		00low000000
abiraterone acetate
0
pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug		00low000000
lenvatinib
0
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
pd 0325901
0
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor		00low000000
midostaurin
0
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		00low000000
muromonab-cd3
0
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		00low000000
ginsenoside m1
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite		00low000000
cabazitaxel
0
tetracyclic diterpenoidantineoplastic agent;
microtubule-stabilising agent		00low000000
elisidepsin
0
cyclodepsipeptideantineoplastic agent00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
tln 4601
0
dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor		00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
topopyrone c
0
naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite		00low000000
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride
0
hydrochloride;
iminium salt		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor		00low000000
fty 720p
0
monoalkyl phosphate;
primary alcohol;
primary amino compound		antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist		00low000000
hki 272
0
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
es-285
0
amino alcohol;
sphingoid		antineoplastic agent00low000000
nidulalin a
0
methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
rucaparib
0
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
pasireotide
0
homodetic cyclic peptide;
peptide hormone		antineoplastic agent00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
sr 11302
0
alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes		antineoplastic agent;
AP-1 antagonist		00low000000
sch 51344
0
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent00low000000
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid
0
11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
pateamine a
0
1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite		00low000000
6-hydroxytaxol
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent00low000000
masitinib
0
1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor		00low000000
ageladine a
0
alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite		00low000000
ly-2157299
0
aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines		antineoplastic agent;
TGFbeta receptor antagonist		00low000000
pazopanib
0
aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
azd 6244
0
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		00low000000
azd2858
0
aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide		antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
jte 013
0
chloropyridine;
pyrazolopyridine		anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist		00low000000
holomycin
0
acetamides;
dithiolopyrrolone antibiotic		antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite		00low000000
trilobacin
0
butenolide;
polyketide;
triol		antineoplastic agent;
plant metabolite		00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
pha 665752
0
dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
fr 901464
0
acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
vinflunine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent00low000000
homocamptothecin
0
epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
jaspamide b
0
cyclodepsipeptide;
organobromine compound		animal metabolite;
antineoplastic agent;
marine metabolite		00low000000
ossamycin
0
cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite		00low000000
nigranoic acid
0
dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite		00low000000
esculeoside a
0
azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite		00low000000
azadirone
0
acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
iejimalide b
0
ether;
formamides;
macrolide		antineoplastic agent;
marine metabolite		00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
cembra-2,7,11-triene-4,6-diol
0
cembrane diterpenoidantineoplastic agent00low000000
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one
0
polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
regorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		00low000000
at 7867
0
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
erastin
0
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		00low000000
ascochlorin
0
cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
spiculoic acid a
0
carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite		00low000000
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide
0
D-valine derivative;
hydroxamic acid		antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor		00low000000
at 7519
0
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
ym 216391
0
1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite		00low000000
marizomib
0
beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide		antineoplastic agent;
proteasome inhibitor		00low000000
er-086526
0
cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent		00low000000
obolactone
0
2-pyranones;
4-pyranones		antineoplastic agent;
plant metabolite		00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
abt 869
0
aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
carfilzomib
0
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		00low000000
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
0
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
crizotinib
0
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
trametinib
0
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		00low000000
lyoniresinol
0
dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite		00low000000
GDC-0879
0
indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor		00low000000
physalin b
0
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimicrobial agent;
antineoplastic agent		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
at 13387
0
benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide		antineoplastic agent;
Hsp90 inhibitor		00low000000
dactolisib
0
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
bgt226
0
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
2'-methoxykurarinone
0
4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite		00low000000
gedunin
0
acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite		00low000000
monascin
0
alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist		00low000000
monascorubrin
0
azaphilone;
enone;
gamma-lactone;
polyketide;
triketone		anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor		00low000000
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one
0
alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite		00low000000
SYC-435
0
benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
ligstroside
0
beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite		00low000000
mogrol
0
hydroxy seco-steroid;
tetracyclic triterpenoid		antineoplastic agent00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
4-methyl-5-pentylbenzene-1,3-diol
0
resorcinolsantineoplastic agent00low000000
mdv 3100
0
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
adonixanthin
0
carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite		00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
abarelix
0
polypeptideantineoplastic agent;
hormone antagonist		00low000000
gastrin 17
0
gastrinantineoplastic agent00low000000
gdc-0973
0
aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
tubocapsanolide a
0
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor		00low000000
ro5126766
0
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cnf 2024
0
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		00low000000
ku 0063794
0
benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor		00low000000
respirantin
0
benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
berkeleydione
0
beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite		00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
brequinar sodium
0
organic sodium saltanticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor		00low000000
plx 4720
0
aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
aspergillide b
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
tenovin-6
0
monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor		00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
gdc 0449
0
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		00low000000
bms 754807
0
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
marinopyrrole a
0
aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
grassypeptolide
0
cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite		00low000000
pci 32765
0
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
ponatinib
0
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
spiruchostatin b
0
macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin		antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
AMG-208
0
aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
papuamide b
0
cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite		00low000000
antroquinonol d
0
enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite		00low000000
quizartinib
0
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		00low000000
6-methoxyspirotryprostatin b
0
aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite		00low000000
PP121
0
aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor		00low000000
niraparib
0
benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
lucitanib
0
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist		00low000000
chondramide c
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
cetrorelix
0
oligopeptideantineoplastic agent;
GnRH antagonist		00low000000
histrelin
0
oligopeptideantineoplastic agent;
gonadotropin releasing hormone agonist		00low000000
cabozantinib
0
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
salvileucalin b
0
bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite		00low000000
incb-018424
0
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
pexidartinib
0
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
glasdegib
0
benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
gsk 2126458
0
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		00low000000
plx4032
0
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
INDY
0
benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor		00low000000
7,8-dihydroxyflavanone
0
dihydroxyflavanoneantineoplastic agent;
metabolite		00low000000
dabrafenib
0
1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor		00low000000
2,3-dihydro-3beta-O-sulfate withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide		antineoplastic agent;
metabolite;
plant metabolite		00low000000
leachianone a
0
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite		00low000000
thiopental sodium
0
organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
EG00229
0
benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes		angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist		00low000000
chondramide a
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
englerin a
0
cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
ML-210
0
C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug		00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
alectinib
0
aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
ML240
0
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent00low000000
torin 1
0
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		00low000000
xl765
0
aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
torin 2
0
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		00low000000
oligomycin a
0
antibiotic antifungal agent;
diketone;
oligomycin;
pentol		antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide		00low000000
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea
0
aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas		antineoplastic agent;
fibroblast growth factor receptor antagonist		00low000000
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite		00low000000
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist		00low000000
gsk2656157
0
biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor		00low000000
coumermycin
0
aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor		00low000000
calicheamicin gamma(1)i
0
calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite		00low000000
asperfuranone
0
2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite		00low000000
ceritinib
0
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
gsk2879552
0
benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor		00low000000
ssr128129e
0
organic sodium saltantineoplastic agent;
fibroblast growth factor receptor antagonist		00low000000
aspergillide a
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
capilliposide b
0
alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite		00low000000
brasilicardin a
0
benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent		00low000000
surfactin A
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant		00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
GSK1059615
0
pyridines;
quinolines;
thiazolidinone		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
ivosidenib
0
cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
phleomycin d1
0
bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
pf-06463922
0
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
physalin d
0
5alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimycobacterial drug;
antineoplastic agent		00low000000
acarbose
0
chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
CCT251545
0
azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor		00low000000
hg-9-91-01
0
aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor		00low000000
chondramide d
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
bassianolide
0
cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide		00low000000
enasidenib
0
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
ebc-46
0
diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist		00low000000
levoleucovorin
0
5-formyltetrahydrofolic acidantineoplastic agent;
metabolite		00low000000
rifampin
0
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		00low000000
azaguanine
0
nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor		00low000000
pemetrexed
0
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		00low000000
pyrazofurin
0
C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
MMP-9-IN-1
0
aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor		00low000000
hydrazinocurcumin
0
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
9-arabinofuranosylguanine
0
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor		00low000000
cerulomycin
0
aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
ver 52296
0
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		00low000000
XL413
0
benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
pp242
0
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		00low000000
marineosin a
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
marineosin b
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
ARS-1620
0
quinazolinesantineoplastic agent;
antiviral agent;
inhibitor		00low000000
sotorasib
0
acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent00low000000
asiatic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		00low000000
proanthocyanidin a2
0
hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite		00low000000
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one
0
aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
nitroflurbiprofen
0
biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent		00low000000
acemetacin
0
carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
bufexamac
0
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
celecoxib
0
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
clofazimine
0
monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug		00low000000
diflunisal
0
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flufenamic acid
0
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
indomethacin
0
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		00low000000
nimesulide
0
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
proglumetacin
0
aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
zomepirac
0
aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug		00low000000
noramidopyrine
0
pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug		00low000000
benzydamine
0
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		00low000000
alclofenac
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
oxamethacin
0
aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flunixin
0
aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
benoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
tepoxalin
0
aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
lonazolac
0
monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
flunoxaprofen
0
1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		00low000000
garenoxacin
0
aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug		00low000000
cox 189
0
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
cimicoxib
0
aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
sulindac
0
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		00low000000
naproxol
0
aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
deracoxib
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
sulindac sulfide
0
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		00low000000
robenacoxib
0
aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide
0
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
apremilast
0
aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
an2728
0
aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
0
organofluorine compoundnon-steroidal anti-inflammatory drug00low000000
am 251
0
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		00low000000
niclosamide
0
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		00low000000
sb 202190
0
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
tetraiodothyroacetic acid
0
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone		00low000000
fluazinam
0
(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic		00low000000
deguelin
0
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		00low000000
5-(tetradecyloxy)-2-furancarboxylic acid
0
aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist		00low000000
tipifarnib
0
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
licocoumarone
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
oncrasin-1
0
arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer		00low000000
cct018159
0
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		00low000000
sb 415286
0
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		00low000000
fraxetin
0
aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
alvocidib
0
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
ro 41-5253
0
aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist		00low000000
sulindac sulfone
0
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
osu 03012
0
antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
saracatinib
0
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		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
PB28
0
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		00low000000
abt-737
0
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
brivanib
0
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
rx-3117
0
organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug		00low000000
MI-63
0
azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer00low000000
ki11502
0
aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
idelalisib
0
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
navitoclax
0
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
TAK-580
0
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		00low000000
tak-632
0
(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor		00low000000
abt-199
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
MK-8353
0
aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
as 1842856
0
organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent		00low000000
ldc4297
0
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
can 508
0
aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
undecylprodigiosin
0
alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent		00low000000
pk 11195
0
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
amsacrine
0
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
ciglitazone
0
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		00low000000
fluorouracil
0
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		00low000000
methoxsalen
0
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		00low000000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
0
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
floxuridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		00low000000
trifluridine
0
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		00low000000
2-fluoroadenine
0
organofluorine compound;
purines		antineoplastic agent00low000000
doxifluridine
0
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		00low000000
fludarabine phosphate
0
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
gemcitabine hydrochloride
0
hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent		00low000000
gemcitabine
0
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		00low000000
capecitabine
0
carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
enrofloxacin
0
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		00low000000
uvaretin
0
aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
cryptopleurine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor		00low000000
fulvestrant
0
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
sc 58125
0
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
clofarabine
0
adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
vatalanib
0
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		00low000000
canertinib
0
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
lapatinib
0
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
sorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		00low000000
lasofoxifene
0
aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine
0
6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor		00low000000
teniposide
0
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
prinomastat
0
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor		00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
curcumin
0
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		00low000000
toremifene
0
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
ospemifene
0
aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
zd 6474
0
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
l 663536
0
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
isoginkgetin
0
aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite		00low000000
neoglycyrol
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite		00low000000
rhamnazin
0
aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
ascofuranone
0
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
ru 58668
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
lenvatinib
0
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
rucaparib
0
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
sch 51344
0
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent00low000000
azd 6244
0
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		00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
regorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		00low000000
at 7867
0
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
erastin
0
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		00low000000
ascochlorin
0
cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
at 7519
0
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
azd 1152
0
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
0
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
zstk474
0
benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
trametinib
0
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		00low000000
GDC-0879
0
indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor		00low000000
bgt226
0
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
azd 1152-hqpa
0
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		00low000000
buparlisib
0
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		00low000000
ro5126766
0
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cnf 2024
0
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
gdc 0449
0
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		00low000000
bms 754807
0
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pci 32765
0
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
AMG-208
0
aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
6-methoxyspirotryprostatin b
0
aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite		00low000000
lucitanib
0
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist		00low000000
cabozantinib
0
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
incb-018424
0
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
pexidartinib
0
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
gsk 2126458
0
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		00low000000
plx4032
0
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		00low000000
dabrafenib
0
1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor		00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
ML-210
0
C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug		00low000000
ML240
0
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent00low000000
torin 1
0
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		00low000000
xl765
0
aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
torin 2
0
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		00low000000
gsk2656157
0
biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor		00low000000
ceritinib
0
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
ivosidenib
0
cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
pf-06463922
0
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
CCT251545
0
azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor		00low000000
enasidenib
0
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
pyrazofurin
0
C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		00low000000
MMP-9-IN-1
0
aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor		00low000000
hydrazinocurcumin
0
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cerulomycin
0
aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one
0
aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		2007200717.0low000100
acetamide
1
acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia		2007200717.0low000100
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
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		2005200519.0low000100
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		2010201014.0low000100
taxifolin
2
3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone		2007200916.0low000200
phosphonoacetic acid
2
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		2007200916.0low000200
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
hydroquinone
2
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		2007200916.0low000200
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
pyrazinamide
1
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2007200717.0low000100
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
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
1,3-diethyl-8-phenylxanthine
1
2007200717.0low000100
1,3-dipropyl-8-cyclopentylxanthine
2
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007200916.0low000200
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
2
bipyridinechelator;
ferroptosis inhibitor		2007200916.0low000200
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
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
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
cgp 52411
1
phthalimidesgeroprotector;
tyrosine kinase inhibitor		2009200915.0low000100
4-amino-1,8-naphthalimide
2
benzoisoquinoline;
dicarboximide		2007200916.0low000200
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2007200717.0low000100
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
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2007200717.0low000100
5,7-dichlorokynurenic acid
1
quinolines2007200717.0low000100
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
2
indolyl carboxylic acid2007200916.0low000200
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-chlorokynurenic acid
1
organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist		2007200717.0low000100
7-nitroindazole
1
2007200717.0low000100
8-(4-sulfophenyl)theophylline
2
2007200916.0low000200
8-cyclopentyl-1,3-dimethylxanthine
1
oxopurine2007200717.0low000100
8-phenyltheophylline
1
2007200717.0low000100
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		2009200915.0low000100
acetazolamide
2
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2004200718.5low000200
acetohexamide
1
acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
ag 127
2
nitrophenol2007200916.0medium000200
ag-1296
1
quinoxaline derivative2006200618.0low000100
rtki cpd
2
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		2007200916.0low000200
tyrphostin a23
2
catechols2007200916.0low000200
tyrphostin 25
2
benzenetriol2007200916.0low000200
tyrphostin a1
1
methoxybenzenesgeroprotector2007200717.0low000100
1-aminoindan-1,5-dicarboxylic acid
1
2007200717.0low000100
albuterol
2
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2006200717.5low000200
alpha-methyltyrosine methyl ester
1
2007200717.0low000100
altretamine
1
triamino-1,3,5-triazine2007200717.0low000100
amfonelic acid
1
2007200717.0low000100
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		2007200717.0low000100
aminoglutethimide
1
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2006200618.0low000100
theophylline
1
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		2007200717.0low000100
amoxapine
2
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2007200916.0low000200
aniracetam
1
N-acylpyrrolidine;
pyrrolidin-2-ones		2007200717.0low000100
2-amino-4-phosphonobutyric acid
1
2007200717.0low000100
aspirin
5
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		2006202111.4low000311
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2007200717.0low000100
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
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		2007200717.0low000100
baclofen
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		2007200717.0low000100
bay-k-8644
2
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2007200916.0low000200
benzamide
1
benzamides2007200717.0low000100
bepridil
1
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
bicalutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		2006200618.0low000100
bml 190
2
N-acylindole2007200916.0medium000200
brimonidine
2
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		2007200916.0low000200
bu 224
1
quinolines2009200915.0low000100
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2007200717.0low000100
caffeine
2
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		2006200717.5low000200
carbamazepine
1
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		2007200717.0low000100
carbetapentane
1
benzenes2007200717.0low000100
carisoprodol
1
carbamate estermuscle relaxant2007200717.0low000100
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2007200717.0low000100
celecoxib
14
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		1997202112.6low001481
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
2
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200916.0low000200
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
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		2007200717.0low000100
ciglitazone
1
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		2006200618.0low000100
cilostamide
2
quinolines2007200916.0low000200
cilostazol
2
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		2007200916.0low000200
cimetidine
2
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200916.0low000200
cinoxacin
2
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		2007200916.0low000200
ciprofibrate
2
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug2006200717.5low000200
clenbuterol
1
amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		2006200618.0low000100
clofibrate
2
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2006200717.5low000200
clotrimazole
3
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		2006200916.7low000300
cx546
1
2007200717.0low000100
cyclothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
dephostatin
1
2007200717.0low000100
nonivamide
1
capsaicinoid;
phenols		lachrymator2007200717.0low000100
r 59022
1
diarylmethane2007200717.0low000100
diazoxide
1
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		2007200717.0low000100
diclofenac
2
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2004201912.5low000110
dichlorphenamide
1
dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug		2004200420.0low000100
pentetic acid
1
pentacarboxylic acidcopper chelator2007200717.0low000100
diphenyleneiodonium
1
organic cation2007200717.0low000100
dipyridamole
2
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200916.0low000200
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2007200717.0low000100
disulfiram
2
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		2007200916.0low000200
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
2
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2007200916.0low000200
droperidol
2
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2007200916.0low000200
dup 697
8
thiophenes200620229.0medium000161
ebselen
2
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		2007200916.0low000200
ellipticine
2
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2007200916.0low000200
emodin
2
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		2007200916.0low000200
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2007200717.0low000100
etodolac
1
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		2007200717.0low000100
felodipine
2
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200916.0low000200
fenofibrate
3
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2006200916.7low000300
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2007200717.0low000100
fluorouracil
2
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2007200916.0low000200
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
4-amino-5-hexynoic acid
1
2007200717.0low000100
gemfibrozil
1
aromatic etherantilipemic drug2006200618.0low000100
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
glyburide
2
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		2007200916.0low000200
go 6976
1
indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor2006200618.0low000100
1-(5-isoquinolinesulfonyl)piperazine
1
isoquinolines2007200717.0low000100
haloperidol
2
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2007200916.0low000200
hemicholinium 3
1
morpholines2007200717.0low000100
4-fluorohexahydrosiladifenidol
1
2007200717.0low000100
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200717.0low000100
hydroxyurea
1
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		2007200717.0low000100
ibudilast
1
pyrazolopyridine2007200717.0low000100
ibuprofen
6
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2006202110.3low000231
ic 261
2
indoles2007200916.0medium000200
ifenprodil
1
piperidines2007200717.0low000100
indirubin-3'-monoxime
2
2007200916.0low000200
indomethacin
7
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		1997202214.3low001231
iodoacetamide
1
2007200717.0low000100
1-methyl-3-isobutylxanthine
1
3-isobutyl-1-methylxanthine2007200717.0low000100
4-piperidinecarboxylic acid
2
2007200916.0low000200
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		2006200618.0low000100
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
3
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2006200916.7low000300
ketoprofen
1
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2007200717.0low000100
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
1
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		2007200717.0low000100
lansoprazole
2
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2007200916.0low000200
beta-lapachone
3
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2006200916.7low000300
leflunomide
1
(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		2007200717.0low000100
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2006200618.0low000100
linopirdine
2
indoles2007200916.0low000200
loratadine
2
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2007200916.0low000200
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
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
2
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2006200717.5low000200
meclofenamate sodium anhydrous
1
organic sodium salt2007200717.0low000100
mesalamine
1
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug201920195.0low000010
methazolamide
1
sulfonamide;
thiadiazoles		2004200420.0low000100
methiothepin
1
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist		2007200717.0low000100
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
milrinone
2
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2006200717.5low000200
minoxidil
1
dialkylarylamine;
tertiary amino compound		2007200717.0low000100
mitotane
1
diarylmethane2007200717.0low000100
mitoxantrone
2
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2007200916.0low000200
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
mofezolac
2
methoxybenzenes201520216.0low000011
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2007200717.0low000100
n-bromoacetamide
1
2007200717.0low000100
ethylmaleimide
1
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		2007200717.0low000100
fg 7142
2
beta-carbolines2007200916.0low000200
fenamic acid
1
aminobenzoic acid;
secondary amino compound		membrane transport modulator2007200717.0low000100
n 0840
2
2007200916.0medium000200
nialamide
2
organonitrogen compound;
organooxygen compound		2007200916.0low000200
niclosamide
3
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		2006200916.7low000300
nifedipine
2
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2007200916.0low000200
niflumic acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
nilutamide
1
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		2007200717.0low000100
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2007200717.0low000100
nimodipine
2
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		2007200916.0low000200
nipecotic acid
1
beta-amino acid;
piperidinemonocarboxylic acid		2007200717.0low000100
nitrendipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2007200916.0low000200
masoprocol
5
catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite		2005201913.8low000320
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
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
2
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		2009201014.5low000200
o(6)-benzylguanine
1
2007200717.0low000100
ofloxacin
2
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2007200916.0low000200
olomoucine
2
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2007200916.0low000200
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
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
quinone
1
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
fenclonine
1
phenylalanine derivative2007200717.0low000100
palmidrol
2
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		2007200916.0low000200
1,7-dimethylxanthine
1
dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
patulin
1
furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite		2006200618.0low000100
pd 153035
1
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		2006200618.0low000100
pd 158780
1
aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		2006200618.0low000100
pd 169316
1
imidazoles2009200915.0low000100
pd 98059
3
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2006200916.7low000300
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
1
oxopurine2007200717.0low000100
perphenazine
2
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2007200916.0low000200
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		2005200917.0low000300
phloretin
2
dihydrochalconesantineoplastic agent;
plant metabolite		2007200916.0low000200
picotamide
2
benzamides2007200916.0low000200
pinacidil
2
pyridines2007200916.0low000200
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2007200717.0low000100
pioglitazone
1
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		2006200618.0low000100
piperidine-4-sulfonic acid
1
2007200717.0low000100
piracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
pirenperone
2
aromatic ketone2007200916.0low000200
praziquantel
2
isoquinolines2007200916.0low000200
primidone
1
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2007200717.0low000100
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
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		2006200618.0low000100
quetiapine
1
dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist		2006200618.0low000100
raloxifene
1
1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2006200618.0low000100
pf 5901
2
quinolines2007200916.0low000200
riluzole
2
benzothiazoles2007200916.0low000200
risperidone
3
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		2006200916.7low000300
ritanserin
2
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2007200916.0low000200
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
1
methoxybenzenes2007200717.0low000100
rofecoxib
2
butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2006201215.0low000110
rolipram
2
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2006200717.5low000200
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
sobuzoxane
1
organic molecular entity2007200717.0low000100
spiroxatrine
2
imidazolidines2007200916.0low000200
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		2006200618.0low000100
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
t0156
2
naphthyridine derivative2007200916.0medium000200
1,4-bis(2-(3,5-dichloropyridyloxy))benzene
1
2007200717.0low000100
terfenadine
3
diarylmethane2006200916.7low000300
tetraisopropylpyrophosphamide
2
phosphoramide2007200916.0low000200
thalidomide
2
phthalimides;
piperidones		2006200717.5low000200
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2007200717.0low000100
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid2007200717.0low000100
tolazamide
1
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2007200717.0low000100
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2007200717.0low000100
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid
1
2007200717.0low000100
ici 136,753
2
pyrazolopyridine2007200916.0low000200
triamterene
2
pteridinesdiuretic;
sodium channel blocker		2007200916.0low000200
trimethoprim
2
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2007200916.0low000200
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2006200618.0low000100
tropicamide
1
acetamides2007200717.0low000100
tyrphostin a9
2
alkylbenzenegeroprotector2007200916.0low000200
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
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
zm 336372
1
benzamides2006200618.0low000100
zonisamide
1
1,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker		2006200618.0low000100
cortisone acetate
1
corticosteroid hormone2007200717.0low000100
corticosterone
2
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		2007200916.0low000200
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
procaine hydrochloride
1
organic molecular entity2007200717.0low000100
isoproterenol hydrochloride
2
catechols2007200916.0low000200
histamine dihydrochloride
1
2007200717.0low000100
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
estrone
2
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		2007200916.0low000200
androsterone
2
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		2007200916.0low000200
promazine hydrochloride
2
hydrochloride2007200916.0low000200
pilocarpine hydrochloride
1
hydrochloride2007200717.0low000100
dimethylphenylpiperazinium iodide
2
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist2007200916.0low000200
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
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
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
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2007200717.0low000100
promethazine hydrochloride
2
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		2007200916.0medium000200
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
methoxamine hydrochloride
2
dimethoxybenzene2007200916.0medium000200
papaverine hydrochloride
2
2007200916.0low000200
bretylium tosylate
2
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		2007200916.0low000200
berlition
1
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group		2007200717.0low000100
methacholine chloride
1
quaternary ammonium salt2007200717.0low000100
androstenedione
2
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2007200916.0low000200
colchicine
2
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2007200916.0low000200
yohimbine hydrochloride
2
2007200916.0low000200
gallamine triethiodide
1
2007200717.0low000100
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2007200717.0low000100
egtazic acid
1
diether;
tertiary amino compound;
tetracarboxylic acid		chelator2007200717.0low000100
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
2
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		2007200916.0low000200
quinacrine monohydrochloride
2
2007200916.0medium000200
chlorpromazine hydrochloride
2
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		2007200916.0medium000200
cytarabine hydrochloride
1
2007200717.0low000100
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
2
hydrochlorideanti-arrhythmia drug;
local anaesthetic		2007200916.0medium000200
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2007200717.0low000100
rotenone
3
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2006200916.7low000300
synephrine
1
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		2007200717.0low000100
pyridostigmine bromide
1
pyridinium salt2007200717.0low000100
imipramine hydrochloride
2
hydrochlorideantidepressant2007200916.0low000200
neostigmine bromide
1
bromide salt2007200717.0low000100
edrophonium chloride
1
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		2007200717.0low000100
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
methapyrilene hydrochloride
2
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2007200916.0low000200
tetrracaine hydrochloride
1
benzoate ester2007200717.0low000100
chelidamic acid
1
2007200717.0low000100
2-chloroadenosine
2
purine nucleoside2007200916.0low000200
diphenhydramine hydrochloride
2
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		2007200916.0low000200
cysteamine hydrochloride
1
2007200717.0low000100
propantheline bromide
2
xanthenes2007200916.0low000200
hydralazine hydrochloride
1
hydrochlorideantihypertensive agent;
vasodilator agent		2007200717.0low000100
ethamivan
1
methoxybenzenes;
phenols		2007200717.0low000100
pargyline hydrochloride
2
2007200916.0low000200
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		2007200717.0low000100
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2007200717.0low000100
orphenadrine hydrochloride
2
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		2007200916.0medium000200
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
cyproterone acetate
2
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		2007200916.0low000200
glycyrrhetinic acid
1
cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite		201920195.0low000010
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2007200717.0low000100
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2007200717.0low000100
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite201920195.0low000010
podophyllotoxin
2
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007200916.0low000200
tetrahydrozoline hydrochloride
2
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200916.0low000200
dequalinium chloride
2
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		2007200916.0low000200
decamethonium dibromide
2
2007200916.0low000200
amitriptyline hydrochloride
2
organic tricyclic compound2007200916.0low000200
naphazoline hydrochloride
2
organic molecular entity2007200916.0low000200
doxylamine succinate
2
organic molecular entity2007200916.0low000200
carbamylhydrazine monohydrochloride
1
organic molecular entity2007200717.0medium000100
formestane
2
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2007200916.0low000200
debrisoquin sulfate
1
organic sulfate salt2007200717.0low000100
betaine hydrochloride
1
2007200717.0low000100
bethanechol chloride
1
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist2007200717.0low000100
acetylcysteine
1
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		2007200717.0low000100
Mecamylamine hydrochloride
2
monoterpenoid2007200916.0high000200
vinblastine
1
2007200717.0low000100
cyproheptadine hydrochloride (anhydrous)
2
hydrochloride2007200916.0medium000200
5 alpha-androstane-3 alpha,17 beta-diol
1
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		2007200717.0low000100
pimozide
2
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2007200916.0low000200
azetidyl-2-carboxylic acid
1
azetidine-2-carboxylic acid2007200717.0low000100
muscarine
1
2007200717.0medium000100
antazoline hydrochloride
2
2007200916.0medium000200
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2007200717.0low000100
meclofenoxate hydrochloride
1
2007200717.0low000100
clonidine hydrochloride
1
dichlorobenzene2007200717.0low000100
beclomethasone
2
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		2007200916.0low000200
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
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
2
2007200916.0low000200
metoclopramide hydrochloride
2
2007200916.0medium000200
isoetharine mesylate
2
2007200916.0medium000200
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
propionylpromazine hydrochloride
2
2007200916.0medium000200
camptothecin
3
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2006200916.7low000300
nsc-145,668
1
hydrochlorideantimetabolite;
antineoplastic agent		2007200717.0medium000100
clodronic acid
1
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		2007200717.0low000100
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		2006200618.0low000100
benserazide hydrochloride
2
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200916.0low000200
pancuronium bromide
2
bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2007200916.0medium000200
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
danazol
2
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2007200916.0low000200
metergoline
2
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		2007200916.0low000200
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2007200717.0low000100
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
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
paclitaxel
3
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2006200916.7low000300
buspirone hydrochloride
2
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		2007200916.0medium000200
etoposide
2
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2007200916.0low000200
propafenone hydrochloride
2
hydrochlorideanti-arrhythmia drug2007200916.0medium000200
etazolate hydrochloride
2
2007200916.0medium000200
butaclamol
1
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist2007200717.0low000100
ribavirin
2
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		2007200916.0low000200
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
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
quisqualic acid
1
non-proteinogenic alpha-amino acid2007200717.0low000100
pirfenidone
1
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
1
chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor		2011201113.0low000010
flecainide acetate
2
acetate saltanti-arrhythmia drug2007200916.0medium000200
nicardipine hydrochloride
2
dihydropyridinegeroprotector2007200916.0low000200
idarubicin
2
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2007200916.0low000200
paroxetine
1
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		2006200618.0low000100
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2007200717.0low000100
terazosin hydrochloride anhydrous
2
2007200916.0medium000200
pergolide mesylate
2
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		2007200916.0low000200
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
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2007200717.0low000100
alo 2145
1
hydrochloridealpha-adrenergic agonist;
antiglaucoma drug		2007200717.0medium000100
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		2006200618.0low000100
enoximone
1
aromatic ketone2007200717.0low000100
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		2006200618.0low000100
pravastatin
1
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		2006200618.0low000100
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
2
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2007200916.0low000200
quinpirole hydrochloride
1
2007200717.0low000100
imazodan
1
2007200717.0low000100
salmeterol xinafoate
1
naphthoic acid2009200915.0low000100
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
aromasil
1
17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic		2006200618.0low000100
zileuton
7
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		2008201912.3low000340
mibefradil dihydrochloride
2
2007200916.0medium000200
eliprodil
1
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		2009200915.0low000100
atorvastatin
1
aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic		2006200618.0low000100
aptiganel hydrochloride
2
2007200916.0medium000200
ziprasidone
1
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist		2006200618.0low000100
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
fluoxetine hydrochloride
2
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		2007200916.0medium000200
propranolol hydrochloride
2
hydrochloride2007200916.0low000200
bupropion hydrochloride
2
aromatic ketone2007200916.0low000200
diltiazem hydrochloride
1
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
trazodone hydrochloride
2
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2007200916.0low000200
verapamil hydrochloride
2
2007200916.0low000200
doxazosin mesylate
2
methanesulfonate saltgeroprotector2007200916.0low000200
terfenadine
2
diarylmethane2007200916.0medium000200
sertraline hydrochloride
1
hydrochlorideantidepressant;
serotonin uptake inhibitor		2009200915.0low000100
amantadine hydrochloride
2
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		2007200916.0low000200
mevastatin
2
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		2006200717.5low000200
chloroquine diphosphate
2
2007200916.0low000200
ursolic acid
2
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite		201920223.5low000011
medicagenic acid
1
triterpenoid201920195.0low000010
dobutamine hydrochloride
2
hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2007200916.0medium000200
desipramine hydrochloride
2
hydrochloridedrug allergen2007200916.0low000200
dopamine hydrochloride
2
catecholamine2007200916.0low000200
proadifen hydrochloride
2
2007200916.0low000200
4-nitrobenzylthioinosine
2
purine nucleoside2007200916.0low000200
metrifudil
1
2007200717.0low000100
rutecarpine
2
beta-carbolines2007200916.0low000200
trihexyphenidyl hydrochloride
2
aralkylamine2007200916.0low000200
thioridazine hydrochloride
2
hydrochloridefirst generation antipsychotic;
geroprotector		2007200916.0medium000200
procainamide hydrochloride
1
hydrochlorideanti-arrhythmia drug2007200717.0low000100
siquil
2
hydrochlorideanticoronaviral agent2007200916.0low000200
sotalol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist		2007200717.0low000100
oxymetazoline hydrochloride
2
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200916.0medium000200
alprenolol hydrochloride
2
hydrochloride2007200916.0medium000200
2-methoxyestradiol
2
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2007200916.0low000200
fluphenazine hydrochloride
2
phenothiazinesanticoronaviral agent2007200916.0medium000200
tryptamine monohydrochloride
2
2007200916.0high000200
clomipramine hydrochloride
2
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		2007200916.0medium000200
amiloride hydrochloride
2
hydratediuretic;
sodium channel blocker		2007200916.0medium000200
prazosin hydrochloride
2
hydrochloride2007200916.0low000200
mianserin hydrochloride
2
hydrochloridegeroprotector2007200916.0medium000200
sertraline
1
dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor		2006200618.0low000100
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
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
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
dihydroergotamine mesylate
2
methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent		2007200916.0medium000200
ranolazine hydrochloride
2
2007200916.0high000200
loxapine succinate
2
succinate saltgeroprotector2007200916.0low000200
guanfacine hydrochloride
2
acetamidesgeroprotector2007200916.0medium000200
pirenzepine dihydrochloride
1
hydrochloride2007200717.0medium000100
labetalol hydrochloride
2
salicylamides2007200916.0medium000200
acecainide hydrochloride
1
2007200717.0low000100
loperamide hydrochloride
2
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		2007200916.0medium000200
maprotiline hydrochloride
2
anthracenes2007200916.0medium000200
protoporphyrin ix, disodium salt
1
2007200717.0low000100
opipramol hydrochloride
1
2009200915.0low000100
siguazodan
1
pyridazinone2007200717.0low000100
3-octadecanamido-2-ethoxypropylphosphocholine
1
2007200717.0low000100
chelerythrine chloride
2
2007200916.0medium000200
tosyllysine chloromethyl ketone
2
2007200916.0medium000200
beta-amyrin
1
pentacyclic triterpenoid;
secondary alcohol		Aspergillus metabolite;
plant metabolite		201920195.0low000010
alpha-amyrin
1
pentacyclic triterpenoid;
secondary alcohol		201920195.0low000010
hederagenin
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin		plant metabolite201920195.0low000010
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
agroclavine
1
ergot alkaloid2007200717.0low000100
arjunolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite		201920195.0low000010
maslinic acid
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		201920195.0low000010
s-methylisothiourea sulfate
1
2007200717.0medium000100
p-Aminobenzamidine dihydrochloride
2
organic molecular entity2007200916.0high000200
rosiglitazone
1
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		2006200618.0low000100
benzamidine hydrochloride
1
2007200717.0medium000100
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2007200717.0low000100
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
phentolamine mesylate
2
2007200916.0medium000200
mephentermine
2
2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite		2007200916.0medium000200
oxybutynin hydrochloride
2
hydrochloride2007200916.0medium000200
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
2
hydrochloridelocal anaesthetic2007200916.0low000200
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
brexanolone
2
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative		2007200916.0low000200
uvaol
1
triterpenoidmetabolite201920195.0low000010
gypsogenin
1
aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin		201920195.0low000010
phenylisopropyladenosine
1
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		2007200717.0low000100
hexamethonium chloride
1
2007200717.0low000100
6-(4-nitrobenzylthio)guanosine
2
2007200916.0low000200
3-aminopropylphosphonic acid
1
phosphonic acids;
primary amino compound;
zwitterion		GABAB receptor agonist2007200717.0low000100
5'-n-methylcarboxamideadenosine
1
2007200717.0low000100
3,7-dimethyl-1-propargylxanthine
1
2007200717.0low000100
zpck
2
2007200916.0low000200
n(6)-phenyladenosine
1
purine nucleoside2007200717.0low000100
erythrodiol
1
diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol		plant metabolite201920195.0low000010
tetrahydrodeoxycorticosterone
2
21-hydroxy steroid2007200916.0low000200
n-methyladenosine
1
methyladenosine2007200717.0low000100
fulvestrant
1
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		2006200618.0low000100
mizoribine
1
imidazolesanticoronaviral agent2007200717.0low000100
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
1
corticosteroid hormone2007200717.0low000100
s-nitrosoglutathione
1
glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule		2007200717.0low000100
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
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
methoctramine
2
hydrochloridemuscarinic antagonist2007200916.0low000200
hypotaurine
1
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
dihydrokainate
1
dicarboxylic acid2007200717.0low000100
gabazine
1
2007200717.0medium000100
cl 218872
1
pyridazines;
ring assembly		2007200717.0low000100
betaxolol hydrochloride
2
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		2007200916.0medium000200
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
dihydrocapsaicin
1
capsaicinoid2007200717.0low000100
ml 9
1
2007200717.0low000100
parthenolide
2
germacranolide2007200916.0low000200
tadalafil
1
benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2006200618.0low000100
3',4'-dichlorobenzamil
2
guanidines;
pyrazines		2007200916.0low000200
1-(carboxymethylthio)tetradecane
1
straight-chain fatty acid2007200717.0low000100
sc 58125
1
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		1997199727.0low001000
2-iodomelatonin
1
acetamides2007200717.0low000100
arcaine, sulfate
1
2007200717.0low000100
asiatic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		201920195.0low000010
gr 113808
2
indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist2007200916.0low000200
gallopamil hydrochloride
2
2007200916.0medium000200
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
valdecoxib
2
isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2004200619.0low000200
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
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
sk&f 86466
1
benzazepine2009200915.0low000100
e 64
2
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2007200916.0low000200
azetidine-2,4-dicarboxylic acid
1
2007200717.0low000100
w 7
1
2009200915.0medium000100
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
ici 204448
1
2007200717.0medium000100
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
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
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
2
2007200916.0medium000200
imidazole-4-acetic acid hydrochloride
1
2007200717.0medium000100
nsc-141549
2
2007200916.0medium000200
2-chloro-2-deoxyglucose
1
2007200717.0medium000100
idazoxan hydrochloride
2
2007200916.0medium000200
isoguvacine hydrochloride
1
2007200717.0low000100
8-methoxymethyl-3-isobutyl-1-methylxanthine
1
oxopurine2007200717.0low000100
naproxen
3
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		1997200919.3low001200
cyc 202
3
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2006200916.7low000300
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
n-n-propylnorapomorphine
1
aporphine alkaloid2007200717.0low000100
urapidil monohydrochloride
2
2007200916.0medium000200
boswellic acid
1
triterpenoid201920195.0low000010
cussonoside b
1
2010201014.0medium000100
aminopterin
2
dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen		2007200916.0low000200
azepexole, dihydrochloride
1
2007200717.0low000100
2,5-dimethoxy-4-iodoamphetamine hydrochloride
1
2007200717.0medium000100
cussonoside a
1
2010201014.0medium000100
angiotensin ii
1
amino acid zwitterion;
angiotensin II		human metabolite2006200618.0low000100
abt 980
2
2007200916.0medium000200
sk&f 75670
2
2007200916.0low000200
esatenolol
1
atenololbeta-adrenergic antagonist2007200717.0low000100
sb 203580
1
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		2006200618.0low000100
nbi 27914
2
dialkylarylamine;
tertiary amino compound		2007200916.0low000200
sb 216763
2
indoles;
maleimides		2007200916.0low000200
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
pefabloc
1
2007200717.0low000100
pongidae
2
2007200916.0high000200
succinylproline
1
N-acyl-amino acid2007200717.0low000100
sb 205384
2
thienopyridine2007200916.0low000200
hydrastine
2
isoquinolinesmetabolite2007200916.0low000200
gabaculine hydrochloride
1
2007200717.0medium000100
etiron monohydrobromide
1
2007200717.0medium000100
bmy 7378
1
2007200717.0low000100
vesamicol
1
2007200717.0medium000100
cortisone
1
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		2007200717.0low000100
vincristine sulfate
2
organic sulfate saltantineoplastic agent;
geroprotector		2007200916.0low000200
n-methylserotonin oxalate salt
1
2007200717.0medium000100
nsc 95397
2
1,4-naphthoquinones2007200916.0low000200
wortmannin
3
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		2006200916.7low000300
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
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
2
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		2007200916.0low000200
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		2007200717.0low000100
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
2
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200916.0low000200
amiodarone hydrochloride
2
aromatic ketone2007200916.0medium000200
dicyclomine hydrochloride
2
hydrochlorideantispasmodic drug;
muscarinic antagonist		2007200916.0medium000200
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
2
organic tricyclic compoundgeroprotector2007200916.0medium000200
paromomycin sulfate
1
2007200717.0medium000100
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 inhibitor2006200618.0low000100
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
vinpocetine
2
alkaloidgeroprotector2007200916.0low000200
dihydroergocristine monomesylate
2
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2007200916.0medium000200
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		2006200618.0low000100
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		2006200916.7low000300
resveratrol
2
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2007200916.0low000200
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
cerivastatin
1
dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)		2006200618.0low000100
rosuvastatin
1
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic		2006200618.0low000100
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
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
1
2007200717.0medium000100
y 27632
1
aromatic amide2006200618.0low000100
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2007200717.0low000100
epothilone a
1
epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator		2006200618.0low000100
6-bromoindirubin-3'-oxime
1
2009200915.0low000100
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		2007200717.0low000100
h 89
2
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide2006200916.5low000200
1,4-dideoxy-1,4-imino-d-arabinitol
1
2007200717.0low000100
purvalanol a
1
purvalanol2007200717.0low000100
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 inhibitor2006200618.0low000100
boswellic acid
1
201920195.0medium000010
isoliquiritigenin
2
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		2007200916.0low000200
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2007200717.0low000100
gw9662
2
benzamides2007200916.0low000200
calmidazolium
2
organic chloride saltapoptosis inducer;
calmodulin antagonist		2007200916.0medium000200
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
ipratropium bromide anhydrous
1
2007200717.0low000100
methamilane methiodide
1
2007200717.0medium000100
pilocarpine nitrate
1
2007200717.0low000100
r 59949
2
diarylmethane2007200916.0low000200
n(6)-cyclopentyladenosine
2
2007200916.0low000200
methylatropine nitrate
1
2007200717.0low000100
sb 366791
2
2007200916.0low000200
ag-213
2
2007200916.0low000200
3,3',4,5'-tetrahydroxystilbene
2
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2007200916.0low000200
bemesetron
2
2007200916.0low000200
(S)-(-)-pindolol
1
pindolol2007200717.0low000100
levosulpiride
1
sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
caffeic acid
4
caffeic acidgeroprotector;
mouse metabolite		2005201215.2low000220
4-fluorophenyl-L-alanine
2
4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid		2007200916.0medium000200
phenylthiazolylthiourea
1
2009200915.0low000100
urocanic acid
1
urocanic acidhuman metabolite2007200717.0low000100
(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-(3-methyl-2-thienyl)acrylic acid
1
2011201113.0medium000010
cinnarizine
3
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		2006200916.7low000300
sulindac
1
2012201212.0medium000010
sulindac
2
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		2007201015.5low000200
cysteine sulfinic acid
1
organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite		2007200717.0low000100
d-ap7
1
2007200717.0medium000100
tg 003
1
2009200915.0low000100
(1R,2S)-tranylcypromine hydrochloride
2
hydrochloride2007200916.0low000200
tacrine hydrochloride
2
2007200916.0low000200
4-bromotetramisole, oxalate (1:1), salt(s)-isomer
2
2007200916.0high000200
3-hydroxybenzylhydrazine hydrochloride
2
2007200916.0high000200
1-(3-chlorophenyl)biguanide hydrochloride
2
2007200916.0high000200
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
tamoxifen
1
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2006200618.0low000100
pimagedine hydrochloride
1
2007200717.0medium000100
Betaine Aldehyde Chloride
1
quaternary ammonium salt2007200717.0medium000100
eskazine
2
2007200916.0medium000200
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
monastrol
1
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		2007200717.0low000100
toremifene
1
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2006200618.0low000100
u 0126
2
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		2007200916.0low000200
4-diphenylacetoxy-n-methylpiperidine methiodide
2
iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist		2007200916.0low000200
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
deracoxib
1
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		1997199727.0low001000
trequinsin hydrochloride
2
2007200916.0medium000200
neboglamine
1
2007200717.0low000100
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
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
2
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2009201711.0low000110
brl 15572
2
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		2007200916.0medium000200
mrs 1523
2
2007200916.0low000200
or486
1
2007200717.0low000100
fg 9041
2
quinoxaline derivative2007200916.0low000200
iik7
1
2007200717.0low000100
sb 415286
2
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		2007200916.0low000200
dm 235
2
2007200916.0low000200
jhw 015
2
indolecarboxamide2007200916.0low000200
bw 723c86
2
tryptamines2007200916.0medium000200
sc-19220
1
aromatic ether2007200717.0low000100
le 300
2
indoles2007200916.0low000200
ly 367265
2
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor		2007200916.0low000200
diclofenac sodium
1
organic sodium salt2007200717.0low000100
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
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		2010201014.0low000100
apigenin
3
trihydroxyflavoneantineoplastic agent;
metabolite		2006200916.7low000300
luteolin
1
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		2007200717.0low000100
daphnetin
2
hydroxycoumarin2007200916.0low000200
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		2006200717.5low000200
pulmicort
2
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		2007200916.0low000200
timolol maleate
2
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2007200916.0medium000200
brompheniramine maleate
2
maleate saltanti-allergic agent2007200916.0low000200
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
astaxanthine
2
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		2007200916.0low000200
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
7-hydroxycoumarin
1
hydroxycoumarinfluorescent probe;
food component;
plant metabolite		2005200519.0low000100
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
2
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2007200916.0low000200
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		2007200717.0low000100
caffeic acid phenethyl ester
2
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2007200916.0low000200
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
n-oleoyldopamine
2
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist2007200916.0low000200
pheniramine maleate
2
organic molecular entity2007200916.0medium000200
tranilast
2
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		2007200916.0low000200
trimipramine maleate
2
maleate saltantidepressant2007200916.0low000200
isotretinoin
2
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2007200916.0low000200
xylometazoline hydrochloride
2
2007200916.0low000200
flunarizine hydrochloride
2
diarylmethane2007200916.0medium000200
ketotifen fumarate
2
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		2007200916.0low000200
cis-flupenthixol dihydrochloride
2
hydrochloridegeroprotector2007200916.0high000200
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
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
phenoxybenzamine hydrochloride
2
organic molecular entity2007200916.0medium000200
phenylephrine hydrochloride
1
hydrochloride2007200717.0low000100
mepyramine maleate
2
2007200916.0medium000200
dorzolamide
1
sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2004200420.0low000100
sirolimus
1
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2006200618.0low000100
brefeldin a
3
macrolide antibioticPenicillium metabolite2006200916.7low000300
fenretinide
2
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2007200916.0low000200
geldanamycin
1
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor		2006200618.0low000100
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
l 655,708
2
2007200916.0low000200
lysophosphatidic acid
1
1-acyl-sn-glycerol 3-phosphate2006200618.0low000100
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
su 6656
2
2007200916.0low000200
ag 538
1
2009200915.0low000100
tyrphostin ag 555
2
2007200916.0low000200
tyrphostin ag-494
1
2007200717.0low000100
tyrphostin b44
2
2007200916.0medium000200
ag-490
2
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		2007200916.0low000200
ag 112
2
2007200916.0medium000200
ag 183
2
2007200916.0low000200
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
sulindac sulfide
2
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		2010201213.0low000110
8-(3-chlorostyryl)caffeine
2
monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2007200916.0low000200
bay 11-7082
1
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		2006200618.0low000100
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
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
1
dihydroxy monocarboxylic acid;
indoles;
organofluorine compound		2006200618.0low000100
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		2007200717.0low000100
diamide
1
1,1'-azobis(N,N-dimethylformamide)2007200717.0low000100
nomifensine maleate
2
2007200916.0low000200
nalbuphine hydrochloride
2
hydrochloride2007200916.0medium000200
isoalloxazine
1
benzo[g]pteridine-2,4-dione2007200717.0low000100
vinblastine sulfate
2
2007200916.0low000200
n-methylscopolamine bromide
1
2007200717.0low000100
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
2
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		2007201015.5low000200
naltrexone hydrochloride
2
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200916.0medium000200
guanabenz acetate
2
dichlorobenzenegeroprotector2007200916.0medium000200
nylidrin hydrochloride
2
alkylbenzene2007200916.0medium000200
triprolidine hydrochloride anhydrous
2
hydrochlorideH1-receptor antagonist2007200916.0medium000200
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
tiapridex
1
benzamides2007200717.0low000100
quipazine maleate
2
2007200916.0medium000200
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride
1
2007200717.0low000100
tulobuterol hydrochloride
2
organic molecular entity2007200916.0medium000200
hp 029
2
2007200916.0medium000200
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
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
homatropine hydrobromide, (endo-(+-)-isomer)
2
2007200916.0medium000200
vancomycin hydrochloride
1
2007200717.0low000100
moxisylyte hydrochloride
1
monoterpenoid2007200717.0low000100
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
pregna-4,17-diene-3,16-dione, (17z)-isomer
2
2007200916.0medium000200
su 4312
2
2007200916.0low000200
tanespimycin
1
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		2006200618.0low000100
gw 1929
3
benzophenones2006200916.7low000300
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole
1
aryl sulfide2006200618.0medium000100
protriptyline hydrochloride
2
hydrochlorideantidepressant2007200916.0medium000200
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
dihydroceramide
1
N-acylsphinganine2007200717.0medium000100
epinephrine bitartrate
2
2007200916.0medium000200
bicuculline methobromide
2
2007200916.0low000200
butylscopolammonium bromide
1
2007200717.0low000100
butaclamol hydrochloride
2
2007200916.0medium000200
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
ci 940
1
hydroxy polyunsaturated fatty acid;
leptomycin		antifungal agent;
bacterial metabolite		2006200618.0medium000100
corosolic acid
1
triterpenoidmetabolite201920195.0low000010
fluvoxamine maleate
2
(trifluoromethyl)benzenes2007200916.0medium000200
naloxone benzoylhydrazone
2
2007200916.0medium000200
2-methyl-6-(phenylethynyl)pyridine hydrochloride
2
hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist		2007200916.0medium000200
amiprilose
1
2007200717.0medium000100
(R)-fluoxetine hydrochloride
2
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200916.0high000200
ro 8-4304
1
2009200915.0low000100
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide
2
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		1997202115.0medium001001
11-keto-boswellic acid
1
201920195.0low000010
efipladib
2
2008200915.5high000200
desmethylselegiline hydrochloride
1
2007200717.0medium000100
3-morpholino-sydnonimine monohydrochloride
2
2007200916.0medium000200
sc 236
1
1997199727.0low001000
t 1032
2
2007200916.0medium000200
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
1-(2-methoxyphenyl)piperazine hydrochloride
2
2007200916.0medium000200
y 27632, dihydrochloride, (4(r)-trans)-isomer
1
2007200717.0medium000100
fk 881
2
201520216.0high000011
sb 203186
1
2009200915.0medium000100
pifithrin-alpha
1
2006200618.0medium000100
noscapine hydrochloride
2
2007200916.0high000200
a 77636
2
hydrochlorideantiparkinson drug;
dopamine agonist		2007200916.0high000200
cgp 20712a
2
2007200916.0low000200
levodopa methyl ester hydrochloride
2
2007200916.0medium000200
benalfocin hydrochloride
1
2007200717.0medium000100
lu 19005
2
2007200916.0high000200
3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole
2
201420159.5high000020
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
cefotaxime sodium
1
organic sodium salt2007200717.0low000100
acetyl-11-ketoboswellic acid
1
triterpenoid201920195.0low000010
calpain inhibitor iii
2
2007200916.0low000200
3-o-acetyl-beta-boswellic acid
1
201920195.0low000010
GR 127935 hydrochloride
2
hydrochlorideserotonergic antagonist2007200916.0high000200
mrs 1845
2
2007200916.0medium000200
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
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
demethylcantharidin
2
2007200916.0low000200
11-deoxy glycyrrhetinic acid
1
triterpenoid201920195.0medium000010
alpha-amyrenone
1
201920195.0medium000010
atropine sulfate
2
2007200916.0medium000200
1-deoxynojirimycin hydrochloride
1
2007200717.0medium000100
win 62577
2
2007200916.0high000200
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
valproate sodium
1
organic sodium saltgeroprotector2007200717.0low000100
cauloside D
1
carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite		2010201014.0medium000100
u 63557a
1
2007200717.0low000100
taurocholic acid, monosodium salt
2
bile salt2007200916.0high000200
cefmetazole sodium
1
organic sodium saltantimicrobial agent2007200717.0low000100
fusidate sodium
2
2007200916.0medium000200
cephapirin sodium
1
cephalosporin;
organic sodium salt		antibacterial drug2007200717.0low000100
sodium cephalothin
1
organic sodium salt2007200717.0low000100
cefazolin sodium
2
organic sodium salt2007200916.0medium000200
5-hydroxydecanoic acid, monosodium salt
1
2007200717.0medium000100
ro13-9904
1
2007200717.0low000100
phenytoin sodium
1
2007200717.0low000100
cr 1409
1
2007200717.0low000100
cortisol succinate, sodium salt
2
organic molecular entity2007200916.0low000200
ys 121
1
medium-chain fatty acid2012201212.0medium000010
ascorbic acid
1
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		2011201113.0low000010
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		1997200919.7low001200
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
warfarin
1
benzenes;
hydroxycoumarin;
methyl ketone		2005200519.0low000100
l 701324
1
quinolines2007200717.0low000100
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
2
2007200916.0low000200
pf 9184
1
2012201212.0medium000010
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2007200717.0low000100
sepiapterin
1
sepiapterin2007200717.0low000100
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		2006200916.7low000300
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2007200717.0low000100
sildenafil
1
piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2006200618.0low000100
olanzapine
1
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor		2006200618.0low000100
zaprinast
2
triazolopyrimidines2007200916.0low000200
vardenafil
1
imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2006200618.0low000100
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2007200717.0low000100
thiolactomycin
1
2007200717.0low000100
2,4-diaminohypoxanthine
1
hydroxypyrimidine2007200717.0low000100
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
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
adenine
1
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2009200915.0low000100
carbamates
2
amino-acid anion2007201214.5low000110
carbon monoxide
1
carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent		201620168.0low000010
chlorine
1
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		2000200024.0low001000
hydrochloric acid
1
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite2001200123.0low000100
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		2006200618.0low000100
hydrogen sulfide
1
gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent		2013201311.0low000010
3,4-dihydroxyphenylacetic acid
1
catechols;
dihydroxyphenylacetic acid		human metabolite2012201212.0low000010
formaldehyde
5
aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2001201517.8low000410
glycine
1
alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical		201520159.0low000010
hydrogen carbonate
3
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2002201217.3low000210
uric acid
1
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite		2002200222.0low000100
menthol
1
p-menthane monoterpenoid;
secondary alcohol		volatile oil component201620168.0low000010
homovanillic acid
1
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		2012201212.0low000010
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		2014201410.0low000010
acetaminophen
2
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2005200718.0low000200
am 251
1
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		2010201014.0low000100
amfenac
1
amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2010201014.0low000100
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		2009200915.0low000100
pimagedine
2
guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2002200520.5low000200
p-aminohippuric acid
1
N-acylglycineDaphnia magna metabolite2014201410.0low000010
anethole trithione
1
methoxybenzenes2010201014.0low000100
aspirin
21
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		2001201516.0low0001740
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2010201014.0low000100
carprofen
1
carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent		2005200519.0low000100
celecoxib
37
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		1998201716.9low00224110
cgs 15943
1
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		2014201410.0low000010
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2013201311.0low000010
diclofenac
6
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2003201116.2low000420
diphenyleneiodonium
1
organic cation2009200915.0low000100
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		2010201014.0low000100
dup 697
5
thiophenes2000201415.6low001220
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2009200915.0low000100
flurbiprofen
2
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2006201016.0low000200
furegrelate
1
benzofurans2007200717.0low000100
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2002200222.0low000100
glyburide
2
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		201320169.5low000020
hydroxyurea
1
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		2004200420.0low000100
ibuprofen
7
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2001200918.9low000700
indomethacin
66
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		1998202116.9low00350121
iodoacetamide
1
2004200420.0low000100
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		2011201312.0low000020
ketorolac
4
amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2000200819.5low001300
loxoprofen
1
cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2014201410.0low000010
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		2003200321.0low000100
mofezolac
1
methoxybenzenes202320231.0low000001
ethylmaleimide
1
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		201620168.0low000010
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2006200618.0low000100
nimesulide
7
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2001201316.0low000520
nitroglycerin
1
nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic		2011201113.0low000010
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
56
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		2000202116.9low0024581
omeprazole
2
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2004200718.5low000200
oxidopamine
1
benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin		2012201212.0low000010
phenacetin
1
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		2007200717.0low000100
potassium chloride
1
inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer2010201014.0low000100
pyranoprofen
1
pyridochromene2005200519.0low000100
opc 12759
1
secondary carboxamide2005200519.0low000100
rofecoxib
23
butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2001201817.2low0001940
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2008200816.0low000100
ticlopidine
1
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		2014201410.0low000010
trigonelline
1
alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite		201620168.0low000010
corticosterone
4
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		2009201313.0low000220
thymidine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		2006200618.0low000100
thyroxine
1
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone		2013201311.0low000010
penicillamine
1
non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen		2001200123.0low000100
alanine
1
alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite		2005200519.0low000100
serine
1
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2003200321.0low000100
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		2009200915.0low000100
carbostyril
1
monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite2005200519.0low000100
phenylephrine
6
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		2010201711.3low000240
methacholine chloride
2
quaternary ammonium salt2005200618.5low000200
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2010201014.0low000100
ampicillin
1
beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug2005200519.0low000100
medroxyprogesterone acetate
2
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		2005201116.0low000110
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2009200915.0low000100
taurocholic acid
1
amino sulfonic acid;
bile acid taurine conjugate		human metabolite2007200717.0low000100
thiophenes
6
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent2000201614.3low001230
quinazolines
1
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		2014201410.0low000010
adamantane
1
adamantanes;
polycyclic alkane		201620168.0low000010
isoxazoles
9
isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2001201018.3low000900
oxazoles
1
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2004200420.0low000100
thiazoles
4
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2001201417.5low000310
hydrazine
5
azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor2009201710.0low000140
evans blue
1
organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent		2005200519.0low000100
monocrotaline
1
pyrrolizidine alkaloid2012201212.0low000010
alpha-aminopyridine
1
2011201113.0low000010
arachidic acid
1
long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite2006200618.0low000100
malondialdehyde
1
dialdehydebiomarker2012201212.0low000010
d-alpha tocopherol
1
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		2006200618.0low000100
tocopherols
1
2006200618.0low000100
n-methylaspartate
2
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent2001200521.0low000200
gadolinium
1
f-block element atom;
lanthanoid atom		2006200618.0low000100
clonixin
1
aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		2009200915.0low000100
glutamic acid
1
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		2003200321.0low000100
paclitaxel
3
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2012201411.3low000030
etoposide
1
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2005200519.0low000100
substance p
2
peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent		2001200123.0low000200
flunixin meglumine
1
organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2009200915.0low000100
ng-nitroarginine methyl ester
11
alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor2002202114.3low000641
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		2006200618.0low000100
mifepristone
2
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2005201116.0low000110
zileuton
1
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		2004200420.0low000100
clopidogrel
1
methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		2014201410.0low000010
adenosine
2
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		2007201413.5low000110
glucose, (beta-d)-isomer
2
D-glucopyranoseepitope;
mouse metabolite		2009200915.0low000200
triazoles
2
1,2,3-triazole201420169.0low000020
masoprocol
1
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		2006200618.0low000100
enkephalin, d-penicillamine (2,5)-
1
heterodetic cyclic peptidedelta-opioid receptor agonist2014201410.0low000010
u 73122
1
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2004200420.0low000100
sr141716
2
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		2007201015.5low000200
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
1
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker2006200618.0low000100
deoxyglucose
1
2003200321.0low000100
thromboxanes
1
201620168.0low000010
sc 58125
7
organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor		2001201417.4low000520
bw 373u86
1
diarylmethane2002200222.0low000100
nitroaspirin
1
carbonyl compound2007200717.0low000100
valdecoxib
3
isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2001200222.3low000300
parecoxib
2
isoxazoles;
N-sulfonylcarboxamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2006200916.5low000200
mk 0663
1
bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2012201212.0low000010
butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanine
1
2004200420.0low000100
methotrexate
1
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		2009200915.0low000100
3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5h)-furanone
1
2005200519.0low000100
omega-n-methylarginine
1
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		2005200519.0low000100
valerylsalicylate
1
benzoic acids;
salicylates;
valerate ester		cyclooxygenase 1 inhibitor2007200717.0low000100
nepafenac
1
monocarboxylic acid amidecyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2010201014.0low000100
cox 189
2
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2006201115.5low000110
naproxen
4
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		2004200818.0low000400
angiotensin ii
4
amino acid zwitterion;
angiotensin II		human metabolite2003201316.0low000220
atropine
4
2004200718.8low000400
sb 203580
1
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		2011201113.0low000010
organophosphonates
1
divalent inorganic anion;
phosphite ion		2006200618.0low000100
1-((4,5-bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
1
2014201410.0low000010
benzofurans
2
2007200816.5low000200
bradykinin
5
oligopeptidehuman blood serum metabolite;
vasodilator agent		2001200720.4low000500
elastin
1
oligopeptide2012201212.0low000010
nitroarginine
4
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		2004201615.2low000220
tretinoin
1
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		2012201212.0low000010
arachidonic acid
9
icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite		2001200819.0low000900
prostaglandin h2
1
olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite2008200816.0low000100
eicosapentaenoic acid
2
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2004200917.5low000200
y 27632
2
aromatic amide2006201613.0low000110
prostaglandin d2
2
prostaglandins Dhuman metabolite;
mouse metabolite		2003200918.0low000200
roflumilast
1
aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor		2011201113.0low000010
dactinomycin
1
actinomycinmutagen2008200816.0low000100
gamma-sitosterol
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite		2013201311.0low000010
dipyrone
1
organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug		2007200717.0low000100
bromochloroacetic acid
1
2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound		2004200420.0low000100
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide
1
2013201311.0low000010
curcumin
1
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		201820186.0low000010
hc 030031
2
201320169.5low000020
urb 597
1
biphenyls2007200717.0low000100
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		2005200519.0low000100
capsaicin
7
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2004201815.1low000430
capsazepine
3
benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist2007201811.3low000120
nadp
1
2011201113.0low000010
u 0126
1
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		2007200717.0low000100
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
1
2007200717.0low000100
sch 23390
1
benzazepine2012201212.0low000010
ifetroban
1
benzenes;
monocarboxylic acid		2004200420.0low000100
sr 144528
1
bridged compound;
monochlorobenzenes;
pyrazoles;
secondary carboxamide		CB2 receptor antagonist;
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor		2007200717.0low000100
cytellin
1
2013201311.0low000010
l 663536
1
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2005200519.0low000100
mrs 1523
1
2007200717.0low000100
zinc protoporphyrin ix
1
201620168.0low000010
dinoprostone
70
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		1998201717.6low00355120
dinoprost
7
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		2004201216.3low000610
arachidonyltrifluoromethane
1
fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound		EC 3.1.1.4 (phospholipase A2) inhibitor2004200420.0low000100
leukotriene b4
2
dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent		2004200718.5low000200
leukotriene c4
1
leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite		2001200123.0low000100
thromboxane a2
8
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite2006201713.8low000530
8,11,14-eicosatrienoic acid
2
fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical		2004201216.0low000110
alprostadil
2
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		2003200420.5low000200
6-ketoprostaglandin f1 alpha
10
prostaglandins Falphahuman metabolite;
mouse metabolite		2001201418.3low000820
11-dehydro-thromboxane b2
1
thromboxanehuman metabolite2013201311.0low000010
lipoxin a4
2
hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite		2004201415.0low000110
prostaglandin e3
1
prostaglandins Ehuman metabolite2004200420.0low000100
anandamide
1
endocannabinoid;
N-acylethanolamine 20:4		human blood serum metabolite;
neurotransmitter;
vasodilator agent		2007200717.0low000100
8-epi-prostaglandin f2alpha
2
F2-isoprostanebiomarker;
bronchoconstrictor agent;
vasoconstrictor agent		2004201216.0low000110
glyceryl 2-arachidonate
1
2-acylglycerol 20:4;
endocannabinoid		human metabolite2010201014.0low000100
ozagrel
1
cinnamic acids2010201014.0low000100
16,16-dimethylprostaglandin e2
1
cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent		2006200618.0low000100
2,3-dinor-6-ketoprostaglandin f1alpha
1
4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite2001200123.0low000100
thromboxane b2
9
thromboxanes Bhuman metabolite;
mouse metabolite		1998201318.2low001620
4-hydroxy-2-nonenal
1
4-hydroxynon-2-enal;
4-hydroxynonenal		2012201212.0low000010
morphine
2
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic		2005200618.5low000200
dexmedetomidine
1
medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative		2014201410.0low000010
iloprost
2
carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent		2001200322.0low000200
al 8810
1
long-chain fatty acid2009200915.0low000100
sq 29548
5
2009201710.0low000140
sulindac sulfide
1
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		2005200519.0low000100
4-amylcinnamoylanthranilic acid
1
amidobenzoic acid;
cinnamamides;
secondary carboxamide		EC 3.1.1.4 (phospholipase A2) inhibitor;
TRP channel blocker		2006200618.0low000100
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid
3
2003201018.3low000300
naltrexone
1
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic		2006200618.0low000100
cysteine
1
cysteiniumfundamental metabolite2001200123.0low000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
1
naphthalenes2006200618.0low000100
fk 409
1
201520159.0low000010
involucrin
1
2004200420.0low000100
14,15-episulfide eicosatrienoic acid
1
2012201212.0low000010
am 404
1
anilide2007200717.0low000100
sq-23377
1
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		2006200618.0low000100
l 745337
1
2010201014.0low000100
ono 8711
1
2007200717.0low000100
pentagastrin
1
organic molecular entity2006200618.0low000100
mocetinostat
7
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		2004201017.0low000700
sc 236
14
2000201220.0medium003920
ticagrelor
1
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		2014201410.0low000010
indoxam
1
2012201212.0low000010
l-161982
1
biphenyls201620168.0low000010
ro3244794
1
2008200816.0low000100
cay 10404
4
sulfonic acid derivative2006201016.2high000400
losartan potassium
1
2013201311.0low000010
calcimycin
3
benzoxazole2001201317.3low000210
pituitrin
1
2008200816.0low000100
cytochrome c-t
1
2007200717.0low000100
gastrins
1
201820186.0low000010
thymosin beta(4)
1
2004200420.0low000100
neuropeptide y
1
2002200222.0low000100
ristocetin
1
glycopeptide;
heterodetic cyclic peptide;
macrocycle;
tetrasaccharide derivative		antibacterial drug;
antimicrobial agent;
bacterial metabolite;
platelet-activating factor receptor agonist		2010201014.0low000100
endothelin-1
1
2004200420.0low000100
sodium salicylate
1
organic molecular entity2006200618.0low000100
calpain
2
2008201015.0low000200
s-nitro-n-acetylpenicillamine
1
2001200123.0low000100
a 967079
1
201620168.0low000010
piperidines
3
2007201015.0low000300
thymosin
1
2004200420.0low000100
gyy 4137
1
organic molecular entity2013201311.0low000010
ascorbic acid
1
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		2005200519.0low000100
minocycline
1
2014201410.0low000010
salicylates
2
monohydroxybenzoateplant metabolite2007200816.5low000200
mobic
3
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2001200620.0low000300
epidermal growth factor
1
2007200717.0low000100
charybdotoxin
1
2007200717.0low000100
cyclin d1
1
2012201212.0low000010
cyclosporine
1
2014201410.0low000010
3-methyladenine
1
2009200915.0low000100
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2009200915.0low000100
sildenafil citrate
1
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		201720177.0low000010
leptin
1
2013201311.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Ache0
9
2001201717.2low000720
Acidosis0
1
2012201212.0low000010
Acute Brain Injuries0
1
2014201410.0low000010
Acute Confusional Senile Dementia0
3
2005201712.3low000120
Acute Disease0
1
2002200222.0low000100
Acute Kidney Failure0
2
201420159.5low000020
Acute Kidney Injury0
2
201420159.5low000020
Acute Lung Injury0
1
2011201113.0low000010
Acute Post-operative Pain0
5
2004200718.6low000500
Adenocarcinoma0
2
2006201016.0low000200
Adenocarcinoma, Basal Cell0
2
2006201016.0low000200
Adjuvant Arthritis0
5
1997201020.4low002300
Age-Related Memory Disorders0
2
2013201410.5low000020
Aging0
2
2013201510.0low000020
Allodynia0
8
1997201119.9low002510
Alloxan Diabetes0
3
2004201615.0low000210
Alzheimer Disease0
3
2005201712.3low000120
Anasarca0
8
1998201715.4low001430
Anemia, Fanconi0
1
201620168.0low000010
Angiitis0
1
2007200717.0low000100
Angiogenesis, Pathologic0
4
2003201415.0low000310
Anorexia0
1
2002200222.0low000100
Anoxemia0
1
2013201311.0low000010
Anterior Choroidal Artery Infarction0
2
2002201018.0low000200
Apnea, Obstructive Sleep0
1
2013201311.0low000010
Arterial Diseases, Carotid0
1
2010201014.0low000100
Arthritis, Degenerative0
1
1997199727.0low001000
Arthritis, Rheumatoid0
1
1997199727.0low001000
Ascites0
1
2002200222.0low000100
Astrocytoma, Grade IV0
1
2005200519.0low000100
Atherogenesis0
3
2007201314.0low000210
Atherosclerosis0
3
2007201314.0low000210
Aura0
1
2009200915.0low000100
Barrett Epithelium0
1
2006200618.0low000100
Barrett Esophagus0
1
2006200618.0low000100
Benign Neoplasms0
1
2007200717.0low000100
Bladder Disorder, Neurogenic0
1
2010201014.0low000100
Bladder, Overactive0
1
2010201014.0low000100
Blood Clot0
4
2007201016.0low000400
Blood Pressure, High0
1
2013201311.0low000010
Blood Pressure, Low0
1
2005200519.0low000100
Body Weight0
4
2002201316.8low000310
Brain Inflammation0
1
2008200816.0low000100
Brain Injuries0
1
2014201410.0low000010
Brain Ischemia0
2
2002201615.0low000110
Bronchial Spasm0
1
2008200816.0low000100
Bronchospasm0
1
2008200816.0low000100
Cancer of Colon0
4
2001201017.5low000400
Cancer of Esophagus0
1
2006200618.0low000100
Cancer of Liver0
1
2007200717.0low000100
Cancer of Lung0
4
2004201017.5low000400
Cancer of Ovary0
9
2005201414.2low000540
Cancer of Pancreas0
1
2010201014.0low000100
Cancer of Skin0
1
2004200420.0low000100
Carbon Tetrachloride Poisoning0
1
2002200222.0low000100
Carcinoma0
1
2004200420.0low000100
Carcinoma, Anaplastic0
1
2004200420.0low000100
Carcinoma, Hepatocellular0
2
2006200717.5low000200
Carcinoma, Non-Small Cell Lung0
1
2010201014.0low000100
Carcinoma, Non-Small-Cell Lung0
1
2010201014.0low000100
Cardiomyopathies0
1
2001200123.0low000100
Cardiomyopathies, Primary0
1
2001200123.0low000100
Cardiovascular Diseases0
2
2007200717.0low000200
Cardiovascular Stroke0
2
2005201414.5low000110
Carotid Arteriopathies, Traumatic0
1
2011201113.0low000010
Carotid Artery Diseases0
1
2010201014.0low000100
Cerebral Infarction0
2
2002201018.0low000200
Cerebral Ischemia0
2
2002201615.0low000110
Chronic Disease0
1
2007200717.0low000100
Chronic Illness0
1
2007200717.0low000100
Cirrhoses, Experimental Liver0
1
2002200222.0low000100
Cirrhosis, Liver0
2
201720177.0low000020
Cognition Disorders0
1
2013201311.0low000010
Colitis Gravis0
1
2007200717.0low000100
Colitis, Ulcerative0
1
2007200717.0low000100
Colonic Diverticulitis0
1
2014201410.0low000010
Colonic Inertia0
1
2007200717.0low000100
Colonic Neoplasms0
4
2001201017.5low000400
Colorectal Cancer0
2
2004200420.0low000200
Colorectal Neoplasms0
2
2004200420.0low000200
Congenital Zika Syndrome0
1
202020204.0low000010
Constipation0
1
2007200717.0low000100
Constriction, Pathologic0
1
2002200222.0low000100
Constriction, Pathological0
1
2002200222.0low000100
Cruveilhier-Baumgarten Syndrome0
3
2005200817.3low000300
Degenerative Diseases, Central Nervous System0
1
201720177.0low000010
Dermatitis, Atopic0
2
2002200719.5low000200
Dermatomycoses0
1
2002200222.0low000100
Diabetes Mellitus, Adult-Onset0
1
201620168.0low000010
Diabetes Mellitus, Type 20
1
201620168.0low000010
Diabetic Glomerulosclerosis0
1
2007200717.0low000100
Diabetic Nephropathies0
1
2007200717.0low000100
Diabetic Retinopathy0
1
2004200420.0low000100
Diathesis0
1
2012201212.0low000010
Disease Models, Animal0
27
2000202014.7low00115110
Drug Withdrawal Symptoms0
2
2007201015.5low000200
Ductus Arteriosus, Patent0
2
2002200918.5low000200
Duodenal Diseases0
1
2013201311.0low000010
Eczema, Atopic0
2
2002200719.5low000200
Edema0
8
1998201715.4low001430
Edema-Proteinuria-Hypertension Gestosis0
1
201520159.0low000010
Electrolytes0
1
2000200024.0low001000
Elevated Cholesterol0
1
2007200717.0low000100
Encephalitis0
1
2008200816.0low000100
Endotoxemia0
1
201520159.0low000010
Endotoxin Shock0
1
2005200519.0low000100
Enteritis0
2
2002200222.0low000200
Epilepsy0
1
2009200915.0low000100
Esophageal Neoplasms0
1
2006200618.0low000100
Esophagitis, Peptic0
1
2011201113.0low000010
Esophagitis, Reflux0
1
2011201113.0low000010
Fanconi Anemia0
1
201620168.0low000010
Fatty Liver, Nonalcoholic0
1
201720177.0low000010
Fever0
2
2001200322.0low000200
FMR1-Related Primary Ovarian Insufficiency0
1
2013201311.0low000010
Gastric Diseases0
2
2007201811.5low000110
Gastric Ulcer0
6
2004201615.2low000420
Gastritis0
1
2004200420.0low000100
Gastrointestinal Hemorrhage0
2
2004201415.0low000110
Gingival Overgrowth0
1
2014201410.0low000010
Glioblastoma0
1
2005200519.0low000100
Granuloma0
1
201620168.0low000010
Granulomas0
1
201620168.0low000010
Hematochezia0
2
2004201415.0low000110
Hepato-Pulmonary Syndrome0
1
201720177.0low000010
Hepatocellular Carcinoma0
2
2006200717.5low000200
Hepatopulmonary Syndrome0
1
201720177.0low000010
Hypercapnia0
2
2001200521.0low000200
Hypercholesterolemia0
1
2007200717.0low000100
Hypercoagulability0
1
2007200717.0low000100
Hypertension0
1
2013201311.0low000010
Hypertension, Portal0
3
2005200817.3low000300
Hypertension, Pulmonary0
1
2012201212.0low000010
Hypotension0
1
2005200519.0low000100
Hypothermia0
3
2007201314.3low000210
Hypothermia, Accidental0
3
2007201314.3low000210
Hypoxia0
1
2013201311.0low000010
Infections, Orthomyxoviridae0
1
2010201014.0low000100
Infections, Rhabdoviridae0
1
2002200222.0low000100
Inflammation0
14
1998201715.9low001940
Injury, Ischemia-Reperfusion0
5
2004201416.8low000410
Injury, Myocardial Reperfusion0
1
2014201410.0low000010
Innate Inflammatory Response0
14
1998201715.9low001940
Intestinal Diseases0
3
2002200619.7low000300
Intraocular Pressure0
1
2004200420.0low000100
Ischemia0
2
2004200917.5low000200
Itching0
1
2007200717.0low000100
Labor, Premature0
1
2000200024.0low001000
Liver Cirrhosis0
2
201720177.0low000020
Liver Neoplasms0
1
2007200717.0low000100
Lung Injury, Acute0
1
2011201113.0low000010
Lung Neoplasms0
4
2004201017.5low000400
Memory Disorders0
2
2013201410.5low000020
Menopause0
1
2013201311.0low000010
Metabolic Acidosis0
1
2012201212.0low000010
Mucositis, Oral0
1
2009200915.0low000100
Muscle Contraction0
8
2006201413.8low000530
Muscle Relaxation0
1
2010201014.0low000100
Myocardial Infarction0
2
2005201414.5low000110
Necrosis0
1
2011201113.0low000010
Neoplasms0
1
2007200717.0low000100
Neovascularization, Optic Disc0
1
2010201014.0low000100
Nerve Degeneration0
1
2005200519.0low000100
Nerve Pain0
1
2003200321.0low000100
Neuralgia0
1
2003200321.0low000100
Neuroblastoma0
1
2005200519.0low000100
Neurodegenerative Diseases0
1
201720177.0low000010
Non-alcoholic Fatty Liver Disease0
1
201720177.0low000010
Obesity0
1
2010201014.0low000100
Orthomyxoviridae Infections0
1
2010201014.0low000100
Osteoarthritis0
1
1997199727.0low001000
Ovarian Neoplasms0
9
2005201414.2low000540
Pain0
9
2001201717.2low000720
Pain, Postoperative0
5
2004200718.6low000500
Palmoplantaris Pustulosis0
1
2002200222.0low000100
Pancreatic Neoplasms0
1
2010201014.0low000100
Patency of the Ductus Arteriosus0
2
2002200918.5low000200
Pericementitis0
1
2014201410.0low000010
Periodontitis0
1
2014201410.0low000010
Peritonitis0
3
2000200918.0low001200
Pigmentary Retinopathy0
1
2014201410.0low000010
Pre-Eclampsia0
1
201520159.0low000010
Pregnancy0
9
2000202117.4low003411
Primary Ovarian Insufficiency0
1
2013201311.0low000010
Primary Peritonitis0
3
2000200918.0low001200
Pruritus0
1
2007200717.0low000100
Psoriasis0
1
2002200222.0low000100
Pulmonary Arterial Remodeling0
1
201620168.0low000010
Pulmonary Hypertension0
1
2012201212.0low000010
Pyrexia0
2
2001200322.0low000200
Reperfusion Injury0
5
2004201416.8low000410
Retinal Degeneration0
1
2014201410.0low000010
Retinal Neovascularization0
1
2010201014.0low000100
Retinitis Pigmentosa0
1
2014201410.0low000010
Rheumatoid Arthritis0
1
1997199727.0low001000
Sensitivity and Specificity0
1
2007200717.0low000100
Shock, Septic0
1
2005200519.0low000100
Skin Neoplasms0
1
2004200420.0low000100
Sleep Apnea, Obstructive0
1
2013201311.0low000010
Stomach Ulcer0
6
2004201615.2low000420
Stomatitis0
1
2009200915.0low000100
Substance Withdrawal Syndrome0
2
2007201015.5low000200
Temporomandibular Disorders0
1
2005200519.0low000100
Temporomandibular Joint Disorders0
1
2005200519.0low000100
Thrombophilia0
1
2007200717.0low000100
Thrombosis0
4
2007201016.0low000400
Ulcer0
2
2002201615.0low000110
Urinary Bladder, Neurogenic0
1
2010201014.0low000100
Urinary Bladder, Overactive0
1
2010201014.0low000100
Vasculitis0
1
2007200717.0low000100
Weight Loss0
1
2002200222.0low000100
Weight Reduction0
1
2002200222.0low000100
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (6)

ArticleYear
Inhibition of cyclooxygenase-2 prevents adverse effects induced by phosphodiesterase type 4 inhibitors in rats.
British journal of pharmacology, , Volume: 162, Issue:2		2011
Protective effects of amifostine and cyclooxygenase-1 inhibitor against normal human epidermal keratinocyte toxicity induced by methotrexate and 5-fluorouracil.
Basic & clinical pharmacology & toxicology, , Volume: 105, Issue:1		2009
Drug-induced alterations to gene and protein expression in intestinal epithelial cell 6 cells suggest a role for calpains in the gastrointestinal toxicity of nonsteroidal anti-inflammatory agents.
The Journal of pharmacology and experimental therapeutics, , Volume: 325, Issue:2		2008
Differential effects of COX inhibitors against beta-amyloid-induced neurotoxicity in human neuroblastoma cells.
Neurochemistry international, , Volume: 47, Issue:8		2005
Formulation dependent pharmacokinetics, bioavailability and renal toxicity of a selective cyclooxygenase-1 inhibitor SC-560 in the rat.
Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques, , Volume: 6, Issue:2
Cyclooxygenase-1-selective inhibition prolongs gestation in mice without adverse effects on the ductus arteriosus.
The Journal of clinical investigation, , Volume: 110, Issue:4		2002

Long-term Use (1)

ArticleYear
Saxagliptin prevents vascular remodeling and oxidative stress in db/db mice. Role of endothelial nitric oxide synthase uncoupling and cyclooxygenase.
Vascular pharmacology, , Volume: 76		2016

Pharmacokinetics (1)

ArticleYear
Formulation dependent pharmacokinetics, bioavailability and renal toxicity of a selective cyclooxygenase-1 inhibitor SC-560 in the rat.
Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques, , Volume: 6, Issue:2

Bioavailability (2)

ArticleYear
Vascular endothelial function is improved by oral glycine treatment in aged rats.
Canadian journal of physiology and pharmacology, , Volume: 93, Issue:6		2015
Formulation dependent pharmacokinetics, bioavailability and renal toxicity of a selective cyclooxygenase-1 inhibitor SC-560 in the rat.
Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques, , Volume: 6, Issue:2

Dosage (6)

ArticleYear
Inhibition of cyclooxygenase-2 prevents adverse effects induced by phosphodiesterase type 4 inhibitors in rats.
British journal of pharmacology, , Volume: 162, Issue:2		2011
Role of COX-2 in nonsteroidal anti-inflammatory drug enteropathy in rodents.
Scandinavian journal of gastroenterology, , Volume: 45, Issue:7-8		2010
Paradoxical thrombotic effects of aspirin: experimental study on 1000 animals.
Cardiovascular & hematological disorders drug targets, , Volume: 10, Issue:2		2010
Indole cytosolic phospholipase A2 alpha inhibitors: discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid, efipladib.
Journal of medicinal chemistry, , Jun-26, Volume: 51, Issue:12		2008
Modifications produced by selective inhibitors of cyclooxygenase and ultra low dose aspirin on platelet activity in portal hypertension.
World journal of gastroenterology, , Oct-14, Volume: 13, Issue:38		2007
Effects of specific inhibition of cyclo-oxygenase-1 and cyclo-oxygenase-2 in the rat stomach with normal mucosa and after acid challenge.
British journal of pharmacology, , Volume: 132, Issue:7		2001

Interactions (4)

ArticleYear
Effects of SC-560 in combination with cisplatin or taxol on angiogenesis in human ovarian cancer xenografts.
International journal of molecular sciences, , Oct-23, Volume: 15, Issue:10		2014
Antitumor properties of taxol in combination with cyclooxygenase-1 and cyclooxygenase-2 selective inhibitors on ovarian tumor growth in vivo.
Oncology research, , Volume: 20, Issue:2-3		2012
Effects of cyclooxygenase inhibitors in combination with taxol on expression of cyclin D1 and Ki-67 in a xenograft model of ovarian carcinoma.
International journal of molecular sciences, , Volume: 13, Issue:8		2012
Effects of a cyclooxygenase-1-selective inhibitor in a mouse model of ovarian cancer, administered alone or in combination with ibuprofen, a nonselective cyclooxygenase inhibitor.
Medical oncology (Northwood, London, England), , Volume: 26, Issue:2		2009