Compounds > ifetroban
Page last updated: 2024-07-31 17:45:53

ifetroban

Description

ifetroban: thromboxane receptor antagonist; structure given in first source; a 7-oxabicyclo(2.2.1)heptane derivative [MeSH]

ifetroban : no description available [CHeBI]

Cross-References

ID SourceID
PubMed CID3037233
CHEMBL ID3301673
SCHEMBL ID28135
CHEBI ID188730
MeSH IDM0211381

Synonyms (28)

Synonym
bms 180,291
gtpl1987
3-[2-[[(1s,4r,5s,6r)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid
143443-90-7
bms180291
benzenepropanoic acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, (1s-(exo,exo))-
ifetroban
bms-180291
ifetroban [usan:inn]
bms 180291-02
bms 180291
o-((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamic acid
bdbm50212318
CHEBI:188730
3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
unii-e833kt807k
e833kt807k ,
CHEMBL3301673
SCHEMBL28135
o-[[1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamic acid
ifetroban [inn]
ifetroban [usan]
CS-0025381
HY-105218
DB12321
DTXSID40869931
Q5991162
AKOS040748563

Drug Classes (2)

ClassDescription
monocarboxylic acidAn oxoacid containing a single carboxy group.
benzenesAny benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.

Bioassays (17)

Assay IDTitleYearJournalArticle
AID540219Volume of distribution at steady state in monkey after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540214Clearance in rat after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540217Volume of distribution at steady state in dog after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540210Clearance in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X		Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540220Clearance in human after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540215Volume of distribution at steady state in rat after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540216Clearance in dog after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540213Half life in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X		Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540230Dose normalised AUC in rat after po administration2005Xenobiotica; the fate of foreign compounds in biological systems, Feb, Volume: 35, Issue:2
ISSN: 0049-8254		Comparative evaluation of oral systemic exposure of 56 xenobiotics in rat, dog, monkey and human.
AID540221Volume of distribution at steady state in human after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540209Volume of distribution at steady state in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X		Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540231Dose normalised AUC in dog after po administration2005Xenobiotica; the fate of foreign compounds in biological systems, Feb, Volume: 35, Issue:2
ISSN: 0049-8254		Comparative evaluation of oral systemic exposure of 56 xenobiotics in rat, dog, monkey and human.
AID540212Mean residence time in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X		Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540218Clearance in monkey after iv administration2005Journal of pharmaceutical sciences, Jul, Volume: 94, Issue:7
ISSN: 0022-3549		Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
AID540232Dose normalised AUC in monkey after po administration2005Xenobiotica; the fate of foreign compounds in biological systems, Feb, Volume: 35, Issue:2
ISSN: 0049-8254		Comparative evaluation of oral systemic exposure of 56 xenobiotics in rat, dog, monkey and human.
AID540233Dose normalised AUC in human after po administration2005Xenobiotica; the fate of foreign compounds in biological systems, Feb, Volume: 35, Issue:2
ISSN: 0049-8254		Comparative evaluation of oral systemic exposure of 56 xenobiotics in rat, dog, monkey and human.
AID1346422Human TP receptor (Prostanoid receptors)1993The Journal of pharmacology and experimental therapeutics, Feb, Volume: 264, Issue:2
ISSN: 0022-3565		Pharmacological profile of BMS 180,291: a potent, long-acting, orally active thromboxane A2/prostaglandin endoperoxide receptor antagonist.

Research

Studies (44)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's29 (65.91)18.2507
2000's11 (25.00)29.6817
2010's3 (6.82)24.3611
2020's1 (2.27)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials3 (6.67%)5.53%
Reviews2 (4.44%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other40 (88.89%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
dihydro-3-coumaric acid
0
monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite		00low000000
3-phenylpropionic acid
0
benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite		00low000000
2-(3-pyridine)acetic acid
0
monocarboxylic acid;
pyridines		human xenobiotic metabolite00low000000
gamma-aminobutyric acid
0
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		00low000000
4-hydroxyphenylacetic acid
0
monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
acetic acid
0
monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent		00low000000
formic acid
0
monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent		00low000000
aminooxyacetic acid
0
amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent		00low000000
4-oxo-4-(3-pyridyl)butanoic acid
0
aromatic ketone;
monocarboxylic acid;
pyridines		00low000000
gamma-guanidinobutyric acid
0
guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
1-aminocyclopropane-1-carboxylic acid
0
amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite		00low000000
phosphonoacetic acid
0
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		00low000000
5,6-dihydroorotate
0
monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide		00low000000
hydantoin-5-propionic acid
0
imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
indoleacetic acid
0
indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite		00low000000
melilotic acid
0
monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite		00low000000
phenylacetic acid
0
benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin		00low000000
phosphoenolpyruvate
0
carboxyalkyl phosphate;
monocarboxylic acid		fundamental metabolite00low000000
4-(2,4-dichlorophenoxy)butyric acid
0
aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin		00low000000
homovanillic acid
0
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		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
alpha-methyl-m-tyrosine
0
monocarboxylic acid00low000000
amlexanox
0
monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug		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
baclofen
0
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		00low000000
bendazac
0
indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger		00low000000
metrizoate
0
monocarboxylic acidradioopaque medium00low000000
carbidopa
0
benzenes;
monocarboxylic acid		00low000000
cetirizine
0
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic		00low000000
cetraxate
0
benzenes;
monocarboxylic acid		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
chrysanthemic acid
0
cyclopropanes;
monocarboxylic acid		plant metabolite00low000000
ciprofibrate
0
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		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
enoxacin
0
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		00low000000
ethacrynic acid
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		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
fenoprofen
0
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
fleroxacin
0
difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor		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
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
ici 204448
0
monocarboxylic acid00low000000
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
iopanoic acid
0
monocarboxylic acid00low000000
ketorolac
0
amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		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
meclofenoxate
0
monocarboxylic acid00low000000
sarkolysin
0
monocarboxylic acid00low000000
mesalamine
0
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug00low000000
3-Hydroxy-alpha-methyl-DL-tyrosine
0
benzenes;
monocarboxylic acid		00low000000
nalidixic acid
0
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		00low000000
oxonic acid
0
1,3,5-triazines;
monocarboxylic acid		00low000000
oxaprozin
0
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		00low000000
oxyphencyclimine
0
monocarboxylic acid00low000000
4-phenylbutyric acid
0
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		00low000000
pipemidic acid
0
amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		00low000000
piromidic acid
0
monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor		00low000000
SU5402
0
monocarboxylic acid;
oxindoles;
pyrroles		fibroblast growth factor receptor antagonist00low000000
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
tosufloxacin
0
1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound		00low000000
tyropanoate
0
benzenes;
monocarboxylic acid		00low000000
zomepirac
0
aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug		00low000000
trichloroacetic acid
0
monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
dichloroacetic acid
0
monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite		00low000000
bis(p-chlorophenyl)acetic acid
0
monocarboxylic acid;
monochlorobenzenes		00low000000
2-phenylbutyric acid
0
benzenes;
monocarboxylic acid		human xenobiotic metabolite00low000000
mecoprop
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		00low000000
fenoprop
0
monocarboxylic acidphenoxy herbicide00low000000
piperonylic acid
0
aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary		00low000000
2-methyl-4-chlorophenoxy gamma-butyric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic		00low000000
iophenoxic acid
0
benzenes;
monocarboxylic acid		00low000000
2-methylvaleric acid
0
branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite		00low000000
cyclohexanecarboxylic acid
0
monocarboxylic acid00low000000
diphenylacetic acid
0
monocarboxylic acidxenobiotic metabolite00low000000
dichlorprop
0
aromatic ether;
dichlorobenzene;
monocarboxylic acid		00low000000
amprotropine
0
monocarboxylic acid00low000000
cyanoacetic acid
0
monocarboxylic acid00low000000
difluoroacetic acid
0
monocarboxylic acid;
organofluorine compound		00low000000
5-methylpyrazole-3-carboxylic acid
0
monocarboxylic acid;
pyrazoles		metabolite00low000000
hydantoic acid
0
monocarboxylic acid;
N-acylglycine;
ureas		rat metabolite;
xenobiotic metabolite		00low000000
abietic acid
0
abietane diterpenoid;
monocarboxylic acid		plant metabolite00low000000
3,5-dibromotyrosine
0
monocarboxylic acid00low000000
3-aminobutyric acid
0
amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite00low000000
4-carboxybenzaladehyde
0
benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite00low000000
3-hydroxybenzeneacetic acid
0
monocarboxylic acid;
phenols		human xenobiotic metabolite00low000000
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
hadacidin
0
aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent		00low000000
3-hydroxypicolinic acid
0
monocarboxylic acid;
monohydroxypyridine		MALDI matrix material00low000000
dihydroferulic acid
0
guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite		00low000000
ibufenac
0
monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
cyclopropanecarboxylic acid
0
cyclopropanes;
monocarboxylic acid		00low000000
(4-tert-Butyl-phenoxy)-acetic acid
0
monocarboxylic acid00low000000
3-methoxyphenylacetic acid
0
monocarboxylic acid00low000000
4-chlorophenylacetic acid
0
monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite00low000000
4-hydroxyphenoxyacetic acid
0
monocarboxylic acid00low000000
5-phenylvaleric acid
0
benzenes;
monocarboxylic acid		00low000000
2-(4-chlorophenoxy)propionic acid
0
monocarboxylic acidphenoxy herbicide00low000000
bumadizone
0
carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug		00low000000
phenoxyacetic acid
0
aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant		00low000000
nafenopin
0
aromatic ether;
monocarboxylic acid		00low000000
3-phenylbutyric acid
0
benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite		00low000000
ochratoxin b
0
isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite		00low000000
cyclohexaneacetic acid
0
monocarboxylic acid00low000000
glucoheptonate
0
carbohydrate acid;
monocarboxylic acid		metabolite00low000000
alclofenac
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
6-methoxy-2-naphthylacetic acid
0
methoxynaphthalene;
monocarboxylic acid		drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite		00low000000
7-aminodesacetoxycephalosporanic acid
0
cephalosporin;
monocarboxylic acid		00low000000
carbidopa
0
catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		00low000000
butyl(3-carboxypropyl)nitrosamine
0
monocarboxylic acid;
nitrosamine		carcinogenic agent00low000000
carbidopa
0
catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		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
lonidamine
0
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		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
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
0
chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor		00low000000
triclopyr
0
aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		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
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
pefloxacin
0
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor		00low000000
imazaquin
0
imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid		00low000000
difloxacin
0
fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite		00low000000
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
temafloxacin
0
amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound		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
valsartan
0
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		00low000000
fenofibric acid
0
aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic 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
etofibrate
0
monocarboxylic acid00low000000
fradafiban
0
carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones		platelet glycoprotein-IIb/IIIa receptor antagonist00low000000
phenylacetylglycine
0
monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse 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
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
tianeptine
0
dibenzothiazepine;
monocarboxylic acid;
organochlorine compound		00low000000
binifibrate
0
monocarboxylic acid00low000000
5-imidazolepropionic acid
0
imidazoles;
monocarboxylic acid		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
gr 117289
0
1-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent		00low000000
alborixin
0
cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic		ionophore00low000000
madecassic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite		00low000000
monotropein
0
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite		00low000000
3-(3,4-dimethoxyphenyl)propanoic acid
0
dimethoxybenzene;
monocarboxylic acid		00low000000
n-methylhippuric acid
0
monocarboxylic acid;
N-acylglycine		EC 1.1.1.21 (aldehyde reductase) inhibitor00low000000
methylimidazoleacetic acid
0
imidazoles;
monocarboxylic acid		GABA agonist;
metabolite		00low000000
6-carboxyfluorescein
0
monocarboxylic acid00low000000
4-(2-thienyl)butyric acid
0
monocarboxylic acid;
thiophenes		hapten00low000000
3-(trimethylsilyl)propionic acid
0
monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound00low000000
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid
0
benzenes;
monocarboxylic acid		00low000000
ritalinic acid
0
monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite		00low000000
indole-1-acetic acid
0
indolyl carboxylic acid;
monocarboxylic acid		00low000000
(1-hydroxycyclopentyl)phenylacetic acid
0
monocarboxylic acid;
tertiary alcohol		00low000000
fluazifop
0
aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines		00low000000
quinclorac
0
monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid		agrochemical;
herbicide;
synthetic auxin		00low000000
gypsogenin
0
aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin		00low000000
beta-hydroxyphenylpropionic acid
0
3-hydroxy carboxylic acid;
monocarboxylic acid		00low000000
salicylamide-2-acetic acid
0
monocarboxylic acid00low000000
dehydroabietic acid
0
abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite		00low000000
2,6-dichloroisonicotinic acid
0
monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor00low000000
1-phenazinecarboxylic acid
0
aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite		00low000000
imidazoleacetic acid
0
imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid
0
imidothioate;
monocarboxylic acid		00low000000
alpha-methylphenylalanine
0
benzenes;
monocarboxylic acid		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
4'-hydroxydiclofenac
0
dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite		00low000000
asiatic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		00low000000
bw 245c
0
imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol		00low000000
piscidic acid
0
benzenes;
monocarboxylic acid		00low000000
mitiglinide
0
benzenes;
monocarboxylic acid		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-carboxyfluorescein
0
monocarboxylic acidfluorochrome00low000000
vadimezan
0
monocarboxylic acid;
xanthones		antineoplastic agent00low000000
ectoine
0
1,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion		osmolyte00low000000
chrysobactin
0
catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound		bacterial metabolite;
siderophore		00low000000
cd 437
0
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist		00low000000
agn 190299
0
monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent		00low000000
3-bromotyrosine
0
monocarboxylic acid00low000000
cox 189
0
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		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
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
clofibride
0
monocarboxylic acid00low000000
carbazic acid
0
monocarboxylic acid;
one-carbon compound		00low000000
endocrocin
0
monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite00low000000
3,5-diiodothyropropionic acid
0
aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols		00low000000
aristolochic acid D
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin		00low000000
3,5-dihydroxyphenylpropionic acid
0
benzenes;
monocarboxylic acid		00low000000
acetyl aleuritolic acid
0
acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite		00low000000
fukiic acid
0
benzenes;
monocarboxylic acid		00low000000
delta-1-piperidine-6-carboxylic acid
0
monocarboxylic acid;
tetrahydropyridine		mammalian metabolite00low000000
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
3-hydroxy-5-cholestenoic acid
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite00low000000
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
9-mercaptodethiobiotin
0
imidazolidinone;
monocarboxylic acid;
thiol;
ureas		Escherichia coli metabolite00low000000
proclavaminic acid
0
amino acid zwitterion;
azetidines;
monocarboxylic acid		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
deferasirox
0
benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator00low000000
sandaracopimaric acid
0
monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite00low000000
7-methoxycoumarin-4-acetic acid
0
monocarboxylic acidfluorochrome00low000000
monensin
0
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		00low000000
isopimaric acid
0
carbotricyclic compound;
diterpenoid;
monocarboxylic acid		00low000000
nanaomycin a
0
benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones		bacterial metabolite00low000000
theogallin
0
gallate ester;
monocarboxylic acid;
tertiary alcohol		00low000000
bispyribac
0
aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide00low000000
pyochelin
0
monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore		00low000000
yersiniabactin
0
monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore		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
mupirocin
0
alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor		00low000000
gw 409544
0
monocarboxylic acid00low000000
steviol
0
bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent00low000000
bevirimat
0
dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite		00low000000
bromochloroacetic acid
0
2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound		00low000000
neurosporaxanthin
0
apo carotenoid C35 terpenoid;
monocarboxylic acid		00low000000
canrenoic acid
0
3-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid		00low000000
dexketoprofen
0
benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester
0
monocarboxylic acid00low000000
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester
0
monocarboxylic acid00low000000
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
0
monocarboxylic acid00low000000
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
epalrestat
0
monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor00low000000
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
0
monocarboxylic acid00low000000
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester
0
monocarboxylic acid00low000000
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester
0
monocarboxylic acid00low000000
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
0
monocarboxylic acid00low000000
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
0
benzenes;
monocarboxylic acid		00low000000
olivetolic acid
0
benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite00low000000
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester
0
monocarboxylic acid00low000000
helvolic acid
0
3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin		00low000000
6-oxopiperidine-2-carboxylate
0
delta-lactam;
monocarboxylic acid		bacterial metabolite00low000000
3-sulfinopropionic acid
0
monocarboxylic acid;
organosulfinic acid		00low000000
amibegron
0
monocarboxylic acid00low000000
chuangxinmycin
0
indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor		00low000000
5-hydroxydiclofenac
0
dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite		00low000000
2-oxindole-3-acetic acid
0
indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite00low000000
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine
0
adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent		00low000000
3-phenyl-3-(1-tetrazolyl)propanoic acid
0
benzenes;
monocarboxylic acid		00low000000
gw 7647
0
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist00low000000
l 663536
0
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		00low000000
clopidogrel carboxylic acid
0
monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite		00low000000
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid
0
gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone		00low000000
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid
0
monocarboxylic acid00low000000
sm 21
0
monocarboxylic acid00low000000
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester
0
monocarboxylic acid00low000000
dinoprost
0
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		00low000000
montelukast
0
aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist		00low000000
sofalcone
0
aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite		00low000000
16,16-dimethylprostaglandin e2
0
cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent		00low000000
iloprost
0
carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent		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
13,14-dihydroretinoic acid
0
monocarboxylic acid;
retinoid		00low000000
sulindac sulfide
0
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		00low000000
lasalocid
0
beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore		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
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
sdz eaa 494
0
monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
valerenic acid
0
carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component		00low000000
ici 215001
0
monocarboxylic acid00low000000
beraprost
0
enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
gemifloxacin
0
1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor		00low000000
gw 501516
0
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		00low000000
brl 37344
0
monocarboxylic acid00low000000
cp533536
0
monocarboxylic acid00low000000
mre 269
0
aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent		00low000000
gw0742
0
monocarboxylic acid00low000000
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
carmine
0
C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye		00low000000
ki16425
0
carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide		00low000000
myrsinoic acid b
0
1-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite		00low000000
triptohypol C
0
benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite		00low000000
artemisic acid
0
carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite00low000000
tafamidis
0
1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug00low000000
dihydroartemisinic acid
0
carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite00low000000
finafloxacin
0
cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent		00low000000
pyrostatin a
0
1,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol		00low000000
roburic acid
0
monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite00low000000
imidazoleacetic acid ribotide
0
imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate		00low000000
vanchrobactin
0
catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol		bacterial metabolite;
marine metabolite;
siderophore		00low000000
spongia-13(16),14-dien-19-oic acid
0
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		00low000000
cathestatin b
0
dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite		00low000000
borrelidin
0
aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
germacra-1(10),4,11(13)-trien-12-oic acid
0
germacrane sesquiterpenoid;
monocarboxylic acid		00low000000
ascr#5
0
monocarboxylic acid;
omega-hydroxy fatty acid ascaroside		Caenorhabditis elegans metabolite;
pheromone		00low000000
tropodithietic acid
0
cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin		00low000000
fumimycin
0
1-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol		antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor		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
lesinurad
0
aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug00low000000
saroglitazar
0
aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist		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
benzene
0
aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent		00low000000
gallopamil
0
benzenes;
organic amino compound		00low000000
mandelic acid
0
2-hydroxy monocarboxylic acid;
benzenes		antibacterial agent;
human xenobiotic metabolite		00low000000
4-phenyl-3-furoxancarbonitrile
0
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
bencyclane
0
benzenes00low000000
benzamidine
0
benzenes;
carboxamidine		serine protease inhibitor00low000000
benzyl isothiocyanate
0
benzenes;
isothiocyanate		antibacterial drug00low000000
benzylhydrochlorothiazide
0
benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide		00low000000
carbetapentane
0
benzenes00low000000
chlorpropham
0
benzenes;
carbamate ester;
monochlorobenzenes		herbicide;
plant growth retardant		00low000000
cimaterol
0
benzenes;
nitrile		00low000000
clofilium
0
benzenes;
organic amino compound		00low000000
diphenidol
0
benzenes;
piperidines;
tertiary alcohol		antiemetic00low000000
cycloadiphenine
0
benzenes00low000000
fenipentol
0
benzenes00low000000
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester
0
benzenes00low000000
lidocaine
0
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		00low000000
isocarboxazid
0
benzenes00low000000
labetalol
0
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		00low000000
methadone
0
benzenes;
diarylmethane;
ketone;
tertiary amino compound		00low000000
metolachlor
0
aromatic amide;
benzenes;
ether;
organochlorine compound		00low000000
nafoxidine
0
benzenes;
naphthalenes;
ring assembly		00low000000
nicardipine
0
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		00low000000
phenprobamate
0
benzenes00low000000
sulfabenzamide
0
benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug		00low000000
sulfacytine
0
benzenes;
sulfonamide		00low000000
sulfamonomethoxine
0
benzenes;
sulfonamide		00low000000
sulfaquinoxaline
0
benzenes;
sulfonamide		00low000000
2-phenylcyclopropan-1-amine
0
benzenes;
cyclopropanes;
primary amine		00low000000
tolazoline hydrochloride
0
benzenes00low000000
phenylethyl alcohol
0
benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
mebanazine
0
benzenes00low000000
phencyclidine
0
benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug		00low000000
caramiphen
0
benzenes00low000000
acetyl sulfisoxazole
0
benzenes;
sulfonamide		00low000000
diphenyl
0
aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative		00low000000
styrene glycol
0
benzenes00low000000
sulfaethidole
0
benzenes;
sulfonamide		00low000000
benzotrichloride
0
benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent00low000000
benzal chloride
0
benzenes00low000000
benzoyl chloride
0
acyl chloride;
benzenes		carcinogenic agent00low000000
benzonitrile
0
benzenes;
nitrile		00low000000
methylphenylsulfide
0
aryl sulfide;
benzenes		00low000000
methyl phenylacetate
0
benzenes00low000000
ethyl phenylacetate
0
benzenes00low000000
phenyl isocyanate
0
benzenes;
isocyanates		allergen;
hapten		00low000000
3-phenylpropanal
0
aldehyde;
benzenes		flavouring agent;
plant metabolite		00low000000
1,4-diethylbenzene
0
benzenes00low000000
benzyl cyanide
0
benzenes;
nitrile		animal metabolite;
pheromone		00low000000
pivalylbenzhydrazine
0
benzenes00low000000
mexacarbate
0
benzenes00low000000
carbutamide
0
benzenes;
sulfonamide		00low000000
methaphenilene
0
benzenes00low000000
biphenylacetylene
0
arylacetylene;
benzenes		fluorochrome00low000000
beclamide
0
benzenes00low000000
mepiperphenidol
0
benzenes;
organic amino compound		00low000000
glybuthiazol
0
benzenes;
sulfonamide		00low000000
phenylacetylene
0
benzenes00low000000
sulfanilylurea
0
benzenes;
sulfonamide		00low000000
metahexamide
0
benzenes;
sulfonamide		00low000000
nitrosobenzene
0
benzenes;
nitroso compound		xenobiotic metabolite00low000000
triphenylphosphine
0
benzenes;
tertiary phosphine		NMR chemical shift reference compound;
reducing agent		00low000000
2-cyanophenol
0
benzenes;
nitrile		00low000000
bensulide
0
benzenes00low000000
1-phenylcyclohex-1-ene
0
benzenes00low000000
diphenyl disulfide
0
benzenes00low000000
2-phenylpropanol
0
benzenes00low000000
methyl phenyl sulfoxide
0
benzenes;
sulfoxide		00low000000
2,6-dimethoxybenzoic acid
0
benzenes;
carbonyl compound		00low000000
phenylphosphonic acid
0
benzenes00low000000
pyrazon
0
benzenes;
organochlorine compound;
primary amino compound;
pyridazinone		environmental contaminant;
herbicide;
xenobiotic		00low000000
3-phenylpropylamine
0
benzenes;
phenylalkylamine;
primary amino compound		00low000000
aminorex
0
benzenes00low000000
bitoscanate
0
benzenes00low000000
teclozan
0
benzenes00low000000
dioxacarb
0
benzenes00low000000
fenestrel
0
benzenes00low000000
propham
0
benzenes;
carbamate ester		herbicide;
plant growth retardant		00low000000
cyanophenphos
0
benzenes;
nitrile		00low000000
N'-methyl-N,N-diphenylurea
0
benzenes00low000000
dibenzo-18-crown-6
0
benzenes;
crown ether		phase-transfer catalyst00low000000
clobutinol
0
benzenes;
organic amino compound		00low000000
phenyl acetate
0
benzenes;
phenyl acetates		00low000000
ripazepam
0
benzenes00low000000
u 40481
0
benzenes;
formamidines		marine xenobiotic metabolite00low000000
iprodione
0
benzenes;
dichlorophenyl dicarboximide fungicide;
imidazole fungicide;
imidazolidine-2,4-dione;
ureas		antifungal agrochemical;
nematicide		00low000000
clorsulon
0
benzenes;
sulfonamide		00low000000
ibutilide
0
benzenes;
organic amino compound		00low000000
prosulfocarb
0
benzenes;
monothiocarbamic ester		environmental contaminant;
herbicide;
xenobiotic		00low000000
Isopropyl phenylacetate
0
benzenes00low000000
4-methyl-1-phenylpentan-2-ol
0
benzenes00low000000
magnesium salicylate
0
benzenes;
carbonyl compound		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
tribuzone
0
benzenes00low000000
phenylpropiolic acid
0
acetylenic compound;
alpha,beta-unsaturated monocarboxylic acid;
benzenes		00low000000
2-Oxo-4-phenylbutyric acid
0
benzenes00low000000
emopamil
0
benzenes;
organic amino compound		00low000000
bathophenanthroline
0
benzenes;
phenanthrolines		chelator00low000000
2-aminobenzenesulfonamide
0
benzenes;
sulfonamide		00low000000
3-phenylpropyl isothiocyanate
0
benzenes00low000000
4-chloro-5-sulfamoylanthranilic acid
0
benzenes;
sulfonamide		00low000000
phenylheptatriyne
0
benzenes00low000000
methyl mandelate
0
benzenes00low000000
benzylphosphonic acid
0
benzenes00low000000
9,10-bis(phenylethynyl)anthracene
0
anthracenes;
arylacetylene;
benzenes		fluorochrome00low000000
4-phenylbutylamine
0
benzenes;
phenylalkylamine;
primary amino compound		00low000000
sdds
0
benzenes;
sulfonamide		00low000000
1-hydroxy-1-phenyl-2-propanone
0
benzenes;
methyl ketone;
secondary alpha-hydroxy ketone		00low000000
silomat
0
benzenes;
organic amino compound		00low000000
phenylisopropyladenosine
0
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		00low000000
alpha-Cyclohexylmandelic acid
0
benzenes00low000000
1-amino-1-phenylmethyl phosphonic acid
0
benzenes;
phosphonic acids;
primary amino compound		00low000000
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
0
benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye00low000000
4-phenylbutyl isothiocyanate
0
benzenes;
organic amino compound		00low000000
n-acetylphenelzine
0
benzenes00low000000
forasartan
0
benzenes;
pyridines;
tetrazoles;
triazoles		angiotensin receptor antagonist;
antihypertensive agent		00low000000
desethyloxybutynin
0
benzenes00low000000
monodesmethylcitalopram
0
benzenes;
organic amino compound		00low000000
cyclodrine
0
benzenes00low000000
didesmethylcitalopram
0
benzenes;
organic amino compound		00low000000
carlina oxide
0
benzenes00low000000
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
0
benzenes00low000000
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile
0
benzenes;
nitrile		00low000000
benzyl d-glucopyranoside
0
benzenes;
beta-D-glucoside		plant metabolite00low000000
cafenstrole
0
benzenes;
sulfone;
triazoles		agrochemical;
antimitotic;
herbicide		00low000000
(5-Phenyl-1,2,4-triazol-3-yl)urea
0
benzenes00low000000
pifithrin mu
0
benzenes00low000000
2-(2-phenylethyl)chromone
0
benzenes;
chromones		plant metabolite00low000000
bms 214662
0
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
N-bis(N-methylanilino)phosphoryl-N-methylaniline
0
benzenes00low000000
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile
0
benzenes;
nitrile		00low000000
4,5-diphenyl-1,2,3-triazole
0
benzenes;
ring assembly;
triazoles		00low000000
N-benzylquinazolin-4-amine
0
benzenes;
quinazolines;
secondary amino compound		00low000000
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
0
benzenes00low000000
thiobenzamide
0
benzenes00low000000
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine
0
aryl sulfide;
benzenes;
thienopyrimidine		00low000000
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile
0
benzenes;
nitrile		00low000000
N-methyl-N-phenylthiourea
0
benzenes00low000000
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine
0
benzenes00low000000
1-cyclohexyl-3-(2-phenylethyl)urea
0
benzenes00low000000
5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione
0
benzenes00low000000
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
0
benzenes;
sulfonamide		00low000000
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
0
benzenes00low000000
1,3-bis(2-phenylethyl)thiourea
0
benzenes00low000000
8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
0
benzenes00low000000
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
0
benzenes00low000000
4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
0
benzenes00low000000
6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
0
benzenes;
triazolothiadiazole		00low000000
4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
0
benzenes00low000000
4-(1H-imidazol-1-ylmethyl)benzonitrile
0
benzenes;
nitrile		00low000000
N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide
0
benzenes00low000000
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea
0
benzenes00low000000
N-(3-phenylpropyl)methanesulfonamide
0
benzenes00low000000
1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea
0
benzenes00low000000
N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
0
benzenes00low000000
amn082
0
benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent		00low000000
2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide
0
benzenes00low000000
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
0
benzenes00low000000
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
0
benzenes00low000000
N1-phenethylhydrazine-1-carbothioamide
0
benzenes00low000000
1-hydroxy-5,5-dimethyl-2-phenyltetrahydro-4H-imidazole-4-thione
0
benzenes00low000000
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
0
benzenes00low000000
N-(cyclopropylmethyl)-N'-phenylurea
0
benzenes00low000000
2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile
0
benzenes;
nitrile		00low000000
2-(4-pentylphenyl)acetic acid
0
benzenes00low000000
5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione
0
benzenes00low000000
k 858
0
benzenes00low000000
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
0
benzenes;
nitrile		00low000000
9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide
0
benzenes00low000000
N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide
0
benzenes00low000000
4-phenyl-3H-thiazole-2-thione
0
benzenes00low000000
sulfatolamide
0
benzenes;
sulfonamide		00low000000
1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea
0
benzenes00low000000
2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
0
benzenes;
pyranopyrazole		00low000000
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
0
benzenes00low000000
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide
0
benzenes;
sulfonamide		00low000000
N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide
0
benzenes00low000000
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
0
benzenes;
sulfonamide		00low000000
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
0
benzenes00low000000
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
N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
0
benzenes00low000000
N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline
0
benzenes;
sulfonamide		00low000000
1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea
0
benzenes00low000000
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
l796778
0
benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas		somatostatin receptor agonist00low000000
l803087
0
benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide		somatostatin receptor agonist00low000000
ro 4-6790
0
benzenes;
sulfonamide		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
gluconasturtiin
0
aralkylglucosinolic acid;
benzenes		00low000000
DPI2
0
benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer00low000000
l 744832
0
benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector		00low000000
glucotropeolin
0
aralkylglucosinolic acid;
benzenes		00low000000
5-(4-phenylbutoxy)psoralen
0
aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker		00low000000
ro 25-6981
0
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
bm 567
0
benzenes;
sulfonamide		00low000000
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
npi 2358
0
2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent		00low000000
chlorobactene
0
benzenes;
carotenoid phi-end group;
carotenoid		bacterial metabolite00low000000
ws-5995 c
0
benzenes;
naphthalenes;
ring assembly		00low000000
phevalin
0
benzenes;
pyrazinone		bacterial metabolite;
calpain inhibitor		00low000000
np 031112
0
benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
ym 216391
0
1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite		00low000000
3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide
0
benzenes;
organic amino compound		00low000000
SYC-435
0
benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
trelagliptin
0
benzenes;
nitrile		00low000000
1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine
0
benzenes00low000000
5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione
0
benzenes00low000000
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide
0
benzenes00low000000
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
0
benzenes00low000000
phenylmercuric acetate
0
arylmercury compound;
benzenes		00low000000
sm 164
0
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		00low000000
5-Methyl-1-phenyl-3-hexanyl sulfamate
0
benzenes00low000000
1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea
0
benzenes;
organic amino compound		00low000000
niraparib
0
benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide
0
benzenes00low000000
1,1,1,2,2-pentafluoro-7-phenylheptan-3-one
0
benzenes00low000000
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
0
benzenes;
sulfonamide		00low000000
difenacoum
0
benzenes;
naphthalenes;
ring assembly		00low000000
warfarin
0
benzenes;
hydroxycoumarin;
methyl ketone		00low000000
bromfenacoum
0
benzenes;
naphthalenes;
ring assembly		00low000000
flocoumafen
0
benzenes;
naphthalenes;
ring assembly		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2008200816.0low000100
coumarin
2
coumarinsfluorescent dye;
human metabolite;
plant metabolite		2005200519.0low000200
1-aminocyclopropane-1-carboxylic acid
1
amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite		2005200519.0low000100
aminocaproic acid
1
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		2008200816.0low000100
1-(3-chlorophenyl)piperazine
1
monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic		2008200816.0low000100
enprofylline
1
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		2008200816.0low000100
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2005200519.0low000100
tacrine
1
acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor2008200816.0low000100
acebutolol
1
aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		2008200816.0low000100
acetaminophen
1
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		2008200816.0low000100
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2008200816.0low000100
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
alfuzosin
1
monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		2008200816.0low000100
alosetron
1
imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist		2008200816.0low000100
alprazolam
1
organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic		2008200816.0low000100
alprenolol
1
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
amantadine
1
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		2008200816.0low000100
diatrizoic acid
1
acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		2008200816.0low000100
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		2008200816.0low000100
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug2008200816.0low000100
amitriptyline
1
carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic		2008200816.0low000100
amlodipine
1
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		2008200816.0low000100
amsacrine
1
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2008200816.0low000100
antipyrine
2
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2005200817.5low000200
aspirin
1
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		2008200816.0low000100
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2008200816.0low000100
azelastine
1
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		2008200816.0low000100
betaxolol
1
propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
bevantolol
1
propanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker		2008200816.0low000100
biperiden
1
piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic		2008200816.0low000100
bisoprolol
1
secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
bromazepam
1
organic molecular entity2008200816.0low000100
bromopride
1
benzamides2008200816.0low000100
brotizolam
1
organic molecular entity2008200816.0low000100
buflomedil
1
aromatic ketone2008200816.0low000100
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2008200816.0low000100
bunazosin
1
quinazolines2008200816.0low000100
bupivacaine
1
aromatic amide;
piperidinecarboxamide;
tertiary amino compound		2008200816.0low000100
busulfan
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		2008200816.0low000100
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		2005200817.5low000200
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2008200816.0low000100
metrizoate
1
monocarboxylic acidradioopaque medium2008200816.0low000100
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2008200816.0low000100
carvedilol
1
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		2008200816.0low000100
chlorambucil
1
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2008200816.0low000100
chlordiazepoxide
1
benzodiazepine2008200816.0low000100
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2008200816.0low000100
chlorpheniramine
1
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		2008200816.0low000100
chlorpromazine
1
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		2008200816.0low000100
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2008200816.0low000100
chlorthalidone
1
isoindoles;
monochlorobenzenes;
sulfonamide		2008200816.0low000100
cifenline
1
diarylmethane2008200816.0low000100
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2008200816.0low000100
ciprofloxacin
3
aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic		2005200818.0low000300
citalopram
3
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		2005200818.0low000300
clomipramine
1
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor		2008200816.0low000100
clonazepam
3
1,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator		2005200818.0low000300
clonidine
1
clonidine;
imidazoline		2008200816.0low000100
chlorazepate
1
1,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug		2008200816.0medium000100
dapsone
1
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		2008200816.0low000100
desipramine
1
dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor		2008200816.0low000100
nordazepam
1
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative		2008200816.0low000100
amphetamine
1
primary amine2008200816.0low000100
diazepam
1
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic		2008200816.0low000100
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		2008200816.0low000100
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		2005200817.5low000200
diflunisal
1
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008200816.0low000100
diphenhydramine
1
ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative		2008200816.0low000100
disopyramide
3
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2005200818.0low000300
valproic acid
2
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		2005200817.5low000200
domperidone
1
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2008200816.0low000100
doxapram
1
morpholines;
pyrrolidin-2-ones		central nervous system stimulant2008200816.0low000100
doxazosin
1
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		2008200816.0low000100
doxepin
1
dibenzooxepine;
tertiary amino compound		antidepressant2008200816.0low000100
dyphylline
1
oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent		2008200816.0low000100
enoxacin
1
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		2008200816.0low000100
ethacrynic acid
1
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		2008200816.0low000100
ethosuximide
2
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2005200519.0low000200
etilefrine
1
phenols2008200816.0low000100
felodipine
1
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2008200816.0low000100
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
fenspiride
1
azaspiro compound2008200816.0low000100
fentanyl
2
anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic		2005200817.5low000200
flecainide
1
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug2008200816.0low000100
fleroxacin
3
difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor		2005200818.0low000300
fluconazole
1
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		2008200816.0low000100
flucytosine
1
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug2008200816.0low000100
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2008200816.0low000100
flunitrazepam
1
1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative		2008200816.0low000100
fluorescite
1
benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium		2008200816.0low000100
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2008200816.0low000100
flurbiprofen
1
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2005200519.0low000100
foscarnet
1
carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor		2008200816.0low000100
furosemide
3
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2005200818.0low000300
gabapentin
3
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2005200818.0low000300
glimepiride
1
sulfonamide2008200816.0low000100
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2008200816.0low000100
glyburide
1
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		2008200816.0low000100
granisetron
1
aromatic amide;
indazoles		2008200816.0low000100
guanfacine
1
acetamides2008200816.0low000100
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2008200816.0low000100
hexobarbital
1
barbiturates2008200816.0low000100
hydralazine
1
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent		2008200816.0low000100
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		2008200816.0low000100
hydroxychloroquine
1
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug		2008200816.0low000100
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		2008200816.0low000100
hypericin
1
2008200816.0low000100
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2008200816.0low000100
lidocaine
3
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		2005200818.0low000300
ifosfamide
1
ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic		2008200816.0low000100
imipramine
1
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2008200816.0low000100
amrinone
1
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2008200816.0low000100
indomethacin
3
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		2005200818.0low000300
iohexol
1
benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		2008200816.0low000100
iopromide
1
dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic		2008200816.0low000100
iothalamic acid
1
organic molecular entity2008200816.0low000100
avapro
1
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		2008200816.0low000100
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		2008200816.0low000100
isradipine
1
benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester		2008200816.0low000100
itraconazole
1
piperazines2008200816.0low000100
ketamine
1
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		2008200816.0low000100
ketanserin
1
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2008200816.0low000100
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		2008200816.0low000100
ketorolac
3
amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2005200818.0low000300
labetalol
1
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		2008200816.0low000100
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2008200816.0low000100
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2008200816.0low000100
lorazepam
1
benzodiazepine2008200816.0low000100
losartan
1
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		2008200816.0low000100
maprotiline
1
anthracenes2008200816.0low000100
mebendazole
1
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		2008200816.0low000100
meperidine
2
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		2005200817.5low000200
mepivacaine
1
piperidinecarboxamidedrug allergen;
local anaesthetic		2008200816.0low000100
meprobamate
1
organic molecular entity2008200816.0low000100
mesalamine
1
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug2008200816.0low000100
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2008200816.0low000100
methadone
1
benzenes;
diarylmethane;
ketone;
tertiary amino compound		2008200816.0low000100
methapyrilene
1
ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2008200816.0low000100
methylphenidate
1
beta-amino acid ester;
methyl ester;
piperidines		2008200816.0low000100
metoclopramide
1
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		2008200816.0low000100
metolazone
1
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		2008200816.0low000100
metoprolol
3
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		2005200818.0low000300
metronidazole
1
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		2008200816.0low000100
mexiletine
1
aromatic ether;
primary amino compound		anti-arrhythmia drug2008200816.0low000100
midazolam
2
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		2005200817.5low000200
milrinone
1
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2008200816.0low000100
mirtazapine
1
benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist		2008200816.0low000100
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2008200816.0low000100
moclobemide
1
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		2008200816.0low000100
acecainide
1
acetamides;
benzamides		anti-arrhythmia drug2008200816.0low000100
naratriptan
1
heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
nefazodone
1
aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor		2008200816.0low000100
nefopam
1
benzoxazocine;
tertiary amino compound		2008200816.0low000100
nevirapine
1
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
nicardipine
3
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		2005200818.0low000300
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2008200816.0low000100
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		2005200817.5low000200
nisoldipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester		2005200817.5low000200
nitrazepam
1
1,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative		2008200816.0low000100
nitrendipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2008200816.0low000100
nizatidine
1
1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist		2008200816.0low000100
nomifensine
1
isoquinolinesdopamine uptake inhibitor2008200816.0low000100
nortriptyline
1
organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite		2008200816.0low000100
ofloxacin
2
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2005200817.5low000200
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2008200816.0low000100
ondansetron
1
carbazoles2008200816.0low000100
oxaprozin
1
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		2005200519.0low000100
oxazepam
1
1,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic		2008200816.0low000100
oxiracetam
1
organonitrogen compound;
organooxygen compound		2008200816.0low000100
oxybutynin
1
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic		2008200816.0low000100
pamidronate
1
phosphonoacetic acid2008200816.0low000100
pantoprazole
1
aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
papaverine
1
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		2008200816.0low000100
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		2008200816.0low000100
pentobarbital
1
barbituratesGABAA receptor agonist2008200816.0low000100
pentoxifylline
1
oxopurine2008200816.0low000100
perphenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2008200816.0low000100
phenacetin
1
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		2008200816.0low000100
phenobarbital
1
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative		2008200816.0low000100
moxonidine
1
organohalogen compound;
pyrimidines		2008200816.0low000100
pimobendan
1
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2008200816.0low000100
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2008200816.0low000100
piretanide
1
aromatic ether2008200816.0low000100
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2008200816.0low000100
prilocaine
1
amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic		2008200816.0low000100
primaquine
1
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial2008200816.0low000100
probenecid
1
benzoic acids;
sulfonamide		uricosuric drug2008200816.0low000100
procainamide
1
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker		2008200816.0low000100
prochlorperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic		2008200816.0low000100
procyclidine
1
pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		2008200816.0low000100
promazine
1
phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist		2008200816.0low000100
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		2008200816.0low000100
propafenone
1
aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug2008200816.0low000100
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2008200816.0low000100
propranolol
3
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		2005200818.0low000300
pyridostigmine
1
pyridinium ion2008200816.0low000100
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		2008200816.0low000100
rabeprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2008200816.0low000100
ranitidine
1
aralkylamine2008200816.0low000100
risperidone
1
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		2008200816.0low000100
rizatriptan
1
tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
sulfadiazine
1
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
risedronic acid
1
pyridines2008200816.0low000100
sotalol
1
ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic		2008200816.0low000100
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2008200816.0low000100
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2008200816.0low000100
sulfamethoxazole
1
isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic		2008200816.0low000100
sulfinpyrazone
1
pyrazolidines;
sulfoxide		uricosuric drug2008200816.0low000100
sulfisoxazole
1
isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen		2008200816.0low000100
sumatriptan
1
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
suprofen
2
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		2005200817.5low000200
suramin
1
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		2008200816.0low000100
gatifloxacin
1
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2008200816.0low000100
temozolomide
1
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		2008200816.0low000100
terazosin
1
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		2008200816.0low000100
terbutaline
1
phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
thalidomide
1
phthalimides;
piperidones		2008200816.0low000100
thiotepa
1
aziridines2008200816.0low000100
tinidazole
1
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		2008200816.0low000100
tizanidine
1
benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant		2008200816.0low000100
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2008200816.0low000100
ultram
1
aromatic ether;
tertiary alcohol;
tertiary amino compound		2008200816.0low000100
tranexamic acid
1
amino acid2008200816.0low000100
trazodone
1
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2008200816.0low000100
triamterene
1
pteridinesdiuretic;
sodium channel blocker		2008200816.0low000100
triazolam
1
triazolobenzodiazepinesedative2008200816.0low000100
trimethadione
1
oxazolidinoneanticonvulsant;
geroprotector		2005200519.0low000100
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
trimetrexate
1
2008200816.0low000100
trimipramine
1
dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic		2008200816.0low000100
troglitazone
2
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		2005200519.0low000200
urapidil
1
piperazines2008200816.0low000100
venlafaxine
2
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		2005200817.5low000200
viloxazine
1
aromatic ether2008200816.0low000100
zaleplon
1
nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative		2008200816.0low000100
zolpidem
1
imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative		2008200816.0low000100
zonisamide
1
1,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker		2005200519.0low000100
zopiclone
1
monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative		2008200816.0low000100
prednisolone
1
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		2008200816.0low000100
cephaloridine
1
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
prednisone
2
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		2005200817.5low000200
penicillin g
1
penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope		2008200816.0low000100
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		2008200816.0low000100
vincristine
2
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		2005200817.5low000200
ethinyl estradiol
3
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen2005200818.0low000300
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2008200816.0low000100
cephalothin
1
azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent		2008200816.0low000100
kanamycin a
1
kanamycinsbacterial metabolite2008200816.0low000100
levodopa
2
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		2005200817.5low000200
methicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2008200816.0low000100
oxacillin
1
penicillinantibacterial agent;
antibacterial drug		2008200816.0low000100
ampicillin
1
beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
triamcinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		2008200816.0low000100
phencyclidine
2
benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug		2005200817.5low000200
dichloroacetic acid
1
monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite		2008200816.0low000100
methylprednisolone
1
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		2008200816.0low000100
penicillin v
1
penicillin allergen;
penicillin		2008200816.0low000100
isosorbide dinitrate
2
glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent		2005200817.5low000200
ergotamine
1
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
neostigmine bromide
1
bromide salt2008200816.0low000100
nafcillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
methohexital
1
acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic		2008200816.0low000100
pirinitramide
1
nitrile2008200816.0low000100
edrophonium bromide
1
2008200816.0medium000100
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2008200816.0low000100
galantamine
1
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite		2008200816.0low000100
betamethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		2008200816.0low000100
dextropropoxyphene
1
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic		2008200816.0low000100
ketobemidone
1
piperidines2008200816.0low000100
chlormethiazole
1
thiazoles2008200816.0low000100
methamphetamine
1
amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic		2008200816.0low000100
lithium carbonate
1
carbonate salt;
lithium salt		antimanic drug2008200816.0low000100
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		2008200816.0low000100
erythromycin
3
cyclic ketone;
erythromycin		2005200818.0low000300
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		2008200816.0low000100
lormetazepam
1
1,4-benzodiazepinone;
organochlorine compound		sedative2008200816.0low000100
vinblastine
2
2005200817.5low000200
ethambutol
1
ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
vancomycin
1
glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite		2008200816.0low000100
metylperon
1
aromatic ketone2008200816.0low000100
spectinomycin
1
cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		2008200816.0low000100
dronabinol
1
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic		2008200816.0low000100
benperidol
1
aromatic ketone2008200816.0low000100
chlordesmethyldiazepam
1
benzodiazepine2008200816.0low000100
stavudine
1
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2008200816.0low000100
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2008200816.0low000100
dicloxacillin
1
dichlorobenzene;
penicillin		antibacterial drug2008200816.0low000100
streptomycin
1
antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor		2008200816.0low000100
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		2008200816.0low000100
carbenicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
floxacillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
beclomethasone dipropionate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug		2008200816.0low000100
olsalazine
1
azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug		2008200816.0low000100
terodiline
1
diarylmethane2008200816.0low000100
1-(4-carboxyphenyl)-3,3-dimethyltriazene
1
2008200816.0low000100
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
metocurine iodide
1
aromatic ether2008200816.0low000100
apazone
1
benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug		2008200816.0low000100
selegiline
1
selegiline;
terminal acetylenic compound		geroprotector2008200816.0low000100
cephalexin
1
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
isosorbide-5-mononitrate
2
glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent		2005200817.5low000200
cephapirin
1
cephalosporinantibacterial drug2008200816.0low000100
pregnanolone
1
3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative		2008200816.0low000100
du-21220
1
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound		2008200816.0low000100
ribostamycin
1
amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite		2008200816.0low000100
cefazolin
2
beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug2005200817.5low000200
halofenate
1
2005200519.0low000100
amoxicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
timolol
1
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2008200816.0low000100
indoramin
1
tryptamines2008200816.0low000100
toloxatone
1
oxazolidinone;
primary alcohol;
toluenes		2008200816.0low000100
zidovudine
2
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2005200817.5low000200
sisomicin
1
amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative		2008200816.0low000100
amdinocillin
1
penicillinantibacterial drug;
antiinfective agent		2008200816.0low000100
tobramycin
1
amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin		2008200816.0low000100
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2008200816.0low000100
etoposide
1
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2008200816.0low000100
ticarcillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
trimazosin
1
N-arylpiperazine2008200816.0low000100
fenclorac
1
2005200519.0medium000100
ribavirin
1
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		2008200816.0low000100
adinazolam
1
triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative		2008200816.0low000100
amikacin
1
alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin		2008200816.0low000100
tolamolol
1
2008200816.0low000100
cephradine
1
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2008200816.0low000100
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2008200816.0low000100
tocainide
1
monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker		2008200816.0low000100
sulbenicillin
1
penicillin2008200816.0low000100
sq-11725
1
2008200816.0low000100
diltiazem
1
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		2008200816.0low000100
vecuronium bromide
1
organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist		2008200816.0low000100
meptazinol
1
azepanes2008200816.0low000100
sufentanil
1
anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic		2008200816.0low000100
torsemide
1
aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic		2008200816.0low000100
medroxalol
1
salicylamides2008200816.0low000100
epirubicin
1
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		2008200816.0low000100
cefmetazole
2
cephalosporinantibacterial drug2005200817.5low000200
lorcainide
1
acetamides2008200816.0low000100
idarubicin
1
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2008200816.0low000100
ceforanide
1
cephalosporinantibacterial drug2008200816.0low000100
piperacillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
paroxetine
1
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		2008200816.0low000100
captopril
2
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2005200817.5low000200
cefoperazone
2
cephalosporinantibacterial drug2005200817.5low000200
atracurium
1
diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist		2008200816.0low000100
moxalactam
1
cephalosporin;
oxacephem		antibacterial drug2008200816.0low000100
endralazine
1
benzamides2008200816.0low000100
cefadroxil anhydrous
1
cephalosporinantibacterial drug2008200816.0low000100
encainide
1
benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker		2008200816.0low000100
pefloxacin
2
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor		2005200817.5low000200
alfentanil
2
monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug		2005200817.5low000200
miglustat
1
piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor		2005200519.0low000100
cefotetan
2
2005200817.5low000200
recainam
3
2005200818.0medium000300
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		2008200816.0low000100
flupirtine
1
aminopyridine2008200816.0low000100
enoximone
1
aromatic ketone2008200816.0low000100
idazoxan
1
benzodioxine;
imidazolines		alpha-adrenergic antagonist2008200816.0low000100
remoxipride
1
dimethoxybenzene2008200816.0low000100
pravastatin
1
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		2008200816.0low000100
bambuterol
1
carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
atomoxetine
1
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		2008200816.0low000100
amifloxacin
1
quinolines2005200519.0low000100
trospectomycin
1
dioxanes2008200816.0low000100
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		2008200816.0low000100
sematilide
1
2008200816.0low000100
esmolol
1
aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound		2008200816.0low000100
clinafloxacin
1
quinolines2008200816.0low000100
adefovir
1
6-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent		2008200816.0low000100
loxiglumide
1
organic molecular entity2008200816.0low000100
sparfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		2008200816.0low000100
tebufelone
1
2005200519.0low000100
cidofovir anhydrous
1
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		2008200816.0low000100
tiagabine
1
beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor		2008200816.0low000100
mibefradil
1
tetralinsT-type calcium channel blocker2008200816.0low000100
topotecan
1
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		2008200816.0low000100
bromfenac
1
aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008200816.0low000100
gemcitabine
1
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		2008200816.0low000100
ibutilide
1
benzenes;
organic amino compound		2008200816.0low000100
aripiprazole
1
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		2008200816.0low000100
remifentanil
1
alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative		2008200816.0low000100
lamivudine
2
monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug		2005200817.5low000200
irinotecan
2
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		2005200817.5low000200
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
ibandronic acid
1
2008200816.0low000100
ziprasidone
1
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist		2008200816.0low000100
zanamivir
1
guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor		2008200816.0low000100
zolmitriptan
1
oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
tiludronic acid
2
organochlorine compound2005200519.0low000200
tirofiban
1
L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist		2008200816.0low000100
cisatracurium
1
diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist		2008200816.0low000100
fosinoprilat
1
L-proline derivative;
phosphinic acids		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2008200816.0low000100
trovafloxacin
3
2005200818.0low000300
cefprozil
1
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0medium000100
iopamidol
1
benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic		2008200816.0low000100
imipramine n-oxide
1
dibenzooxazepine2008200816.0low000100
ritipenem
1
2005200519.0low000100
flomoxef
1
N-acyl-amino acid;
organonitrogen heterocyclic antibiotic;
oxacephem		antibacterial drug2005200519.0low000100
dexloxiglumide
1
glutamic acid derivative2008200816.0low000100
intoplicine
1
pyridoindole2008200816.0low000100
repaglinide
1
piperidines2008200816.0low000100
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
inogatran
1
2005200519.0low000100
dexfenfluramine
2
fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor		2005200817.5low000200
ethinyl estradiol-17-sulfate
1
2008200816.0medium000100
ethinylestradiol-3-sulfate
1
17beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen		2008200816.0low000100
cefcanel
1
2008200816.0medium000100
zoledronic acid
1
1,1-bis(phosphonic acid);
imidazoles		bone density conservation agent2008200816.0low000100
epristeride
1
steroid acid2008200816.0low000100
talinolol
1
ureas2008200816.0low000100
flunoxaprofen
1
1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist		2005200519.0low000100
denaverine
1
diarylmethane2008200816.0low000100
diprafenone
1
aromatic compound2008200816.0low000100
nebivolol
1
chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound		2008200816.0medium000100
uk 68798
1
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		2008200816.0low000100
ljc 10627
2
carbapenems;
organic sulfide;
pyrazolotriazole		antibacterial drug2005200817.5low000200
dexrazoxane
1
razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent		2008200816.0low000100
voriconazole
1
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor2008200816.0low000100
betamipron
2
organonitrogen compound;
organooxygen compound		2005200817.5low000200
bufuralol
1
benzofurans2008200816.0low000100
panipenem
2
organic molecular entity2005200817.5low000200
perindoprilat
1
dicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2008200816.0low000100
7-hydroxystaurosporine
1
2008200816.0low000100
methotrimeprazine
1
phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist		2008200816.0low000100
9-aminocamptothecin
1
pyranoindolizinoquinoline2008200816.0low000100
sch 34343
2
2005200817.5low000200
squalamine
1
bile acid2008200816.0low000100
atovaquone
1
hydroxy-1,2-naphthoquinone2008200816.0low000100
rivastigmine
1
carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent		2008200816.0low000100
frovatriptan
1
carbazoles2008200816.0low000100
eletriptan
1
indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
rosiglitazone
1
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		2008200816.0low000100
flunisolide
2
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent		2005200519.0low000200
clarithromycin
1
macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic		2008200816.0low000100
nicotine
2
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		2005200817.5low000200
mci 9038
1
peptide2008200816.0low000100
imipenem, anhydrous
1
beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug2008200816.0low000100
bosentan anhydrous
1
primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist		2008200816.0low000100
asulacrine
1
acridines2008200816.0low000100
hydroxycotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		2008200816.0low000100
quinaprilat
1
dicarboxylic acid;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent		2008200816.0low000100
2-hydroxyimipramine
1
dibenzoazepine2008200816.0low000100
ecteinascidin 743
1
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		2008200816.0low000100
almotriptan
1
indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
mk 0663
1
bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2008200816.0low000100
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		2008200816.0low000100
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		2005200817.5low000200
1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine
1
2005200519.0low000100
tamsulosin
1
5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent		2008200816.0low000100
sulbactam
1
penicillanic acids2008200816.0low000100
dilevalol
1
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide2008200816.0medium000100
docetaxel
1
hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent2008200816.0low000100
irofulven
1
cyclohexenones2008200816.0low000100
ym 872
1
2008200816.0low000100
levofloxacin
1
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor		2008200816.0low000100
ertapenem
1
carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug2008200816.0low000100
dx 8951
1
pyranoindolizinoquinoline2008200816.0low000100
cilomilast
1
methoxybenzenes2008200816.0low000100
conivaptan
1
benzazepineaquaretic;
vasopressin receptor antagonist		2008200816.0low000100
tezosentan
1
2008200816.0low000100
sabarubicin
1
2008200816.0low000100
moxifloxacin
3
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug2005200818.0low000300
clevidipine
1
dihydropyridine2008200816.0low000100
solifenacin
1
isoquinolines2008200816.0low000100
xamoterol
1
morpholines2008200816.0low000100
naproxen
1
methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2005200519.0low000100
abanoquil
1
2008200816.0low000100
anidulafungin
1
antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative		2008200816.0low000100
atropine
1
2008200816.0low000100
ropivacaine
1
piperidinecarboxamide;
ropivacaine		local anaesthetic2008200816.0low000100
melagatran
1
azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor		2008200816.0low000100
ezlopitant
1
2005200519.0low000100
tesaglitazar
1
2008200816.0low000100
bms204352
1
2008200816.0low000100
fosfluconazole
1
conazole antifungal drug;
triazole antifungal drug;
triazoles		prodrug2008200816.0low000100
cp 101,606
1
2008200816.0low000100
nsc-89199
1
carbamate ester;
organochlorine compound;
steroid phosphate		2008200816.0medium000100
phenethicillin
1
penicillin allergen;
penicillin		2008200816.0low000100
acivicin
2
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		2005200817.5low000200
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		2008200816.0low000100
ritonavir
1
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		2005200519.0low000100
quinidine
2
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		2005200817.5low000200
meropenem
2
alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen		2005200817.5low000200
cefoxitin
1
beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2008200816.0low000100
moxalactam disodium
1
2005200519.0low000100
saquinavir
1
L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor		2008200816.0low000100
pancuronium
1
acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2008200816.0low000100
rocuronium
1
3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent		2008200816.0low000100
abacavir
1
2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
netilmicin
1
2008200816.0low000100
miglitol
1
piperidines2008200816.0low000100
linezolid
1
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		2008200816.0low000100
tolterodine
1
tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant		2008200816.0low000100
darifenacin
1
1-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist		2008200816.0low000100
fluticasone propionate
1
11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester		adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug		2008200816.0low000100
acarbose
1
amino cyclitol;
glycoside		2008200816.0low000100
tacrolimus
1
macrolide lactambacterial metabolite;
immunosuppressive agent		2008200816.0low000100
cerivastatin
1
dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)		2008200816.0low000100
rosuvastatin
1
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
cocaine
2
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		2005200817.5low000200
clindamycin
1
2008200816.0low000100
fosfomycin
1
epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor		2008200816.0low000100
zithromax
2
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic		2005200817.5low000200
bms 214662
1
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		2008200816.0low000100
eptifibatide
1
homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor		2008200816.0low000100
gs 4071
1
acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite		2008200816.0low000100
decitabine
1
2'-deoxyribonucleoside2008200816.0low000100
sm 8668
1
2008200816.0low000100
teniposide
1
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		2008200816.0low000100
troxacitabine
1
carbohydrate derivative;
nucleobase-containing molecular entity		2008200816.0low000100
cefamandole
1
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
tiazofurin
2
1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug		2005200817.5low000200
melphalan
1
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2008200816.0low000100
sitafloxacin
1
fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic		2008200816.0low000100
tenofovir
1
nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
dibekacin
1
kanamycinsantibacterial agent;
protein synthesis inhibitor		2008200816.0low000100
micafungin
1
antibiotic antifungal drug;
echinocandin		antiinfective agent2008200816.0low000100
cefpiramide
1
carboxylic acid;
cephalosporin		antibacterial drug2005200519.0low000100
mezlocillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
tropisetron
1
indolyl carboxylic acid2008200816.0low000100
leuprolide
1
oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist		2008200816.0low000100
fludarabine
1
purine nucleoside2008200816.0low000100
propylthiouracil
1
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		2008200816.0low000100
etomidate
1
ethyl ester;
imidazoles		intravenous anaesthetic;
sedative		2008200816.0low000100
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		2008200816.0low000100
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2008200816.0low000100
methimazole
1
1,3-dihydroimidazole-2-thionesantithyroid drug2008200816.0low000100
drotaverin
1
isoquinolines2008200816.0low000100
digoxin
1
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		2008200816.0low000100
cancidas
1
2008200816.0low000100
lincomycin
1
carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite		2008200816.0low000100
thiopental
1
barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic		2008200816.0low000100
hmr 3647
1
2008200816.0low000100
nelarabine
1
beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug		2008200816.0low000100
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine
1
aromatic ether2008200816.0low000100
dolasetron
1
indolyl carboxylic acid2008200816.0low000100
or 1259
1
hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent		2008200816.0low000100
gestodene
1
steroidestrogen2008200816.0low000100
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2008200816.0low000100
isepamicin
1
2008200816.0low000100
lamifiban
2
N-acylglycine2005200817.5low000200
telavancin
1
glycopeptideantibacterial drug;
antimicrobial agent		2008200816.0low000100
susalimod
1
2005200519.0high000100
sitagliptin
1
triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic		2008200816.0low000100
tolcapone
1
2-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		2008200816.0low000100
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		2008200816.0low000100
amphotericin b
1
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		2005200519.0low000100
clavulanic acid
1
oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor		2008200816.0low000100
pulmicort
1
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		2008200816.0low000100
eprosartan
1
dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
montelukast
1
aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist		2008200816.0low000100
mivacurium
1
isoquinolines2008200816.0low000100
entacapone
1
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		2008200816.0low000100
paricalcitol
1
hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug2008200816.0low000100
sdz psc 833
1
homodetic cyclic peptide2008200816.0low000100
l 660,711
1
quinolines2005200519.0low000100
indocyanine green
1
1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye		2008200816.0medium000100
codeine
1
morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic		2008200816.0low000100
cyclosporine
1
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		2008200816.0low000100
hydromorphone
1
morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic		2008200816.0low000100
nalmefene
1
morphinane alkaloid2008200816.0low000100
naloxone
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2008200816.0low000100
oxycodone
1
organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic		2008200816.0low000100
alvocidib
1
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2008200816.0low000100
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		2005200817.5low000200
cicaprost
1
monoterpenoid2008200816.0low000100
dexmedetomidine
1
medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative		2008200816.0low000100
iloprost
2
carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent		2005200817.5low000200
nalbuphine
1
organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic		2008200816.0low000100
nateglinide
1
phenylalanine derivative2008200816.0low000100
vinorelbine
1
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		2008200816.0low000100
romidepsin
1
cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		2008200816.0low000100
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
3
dihydroxy monocarboxylic acid;
indoles;
organofluorine compound		2005200818.0low000300
naltrexone
2
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic		2005200817.5low000200
morphine-6-glucuronide
1
morphinane alkaloid2008200816.0low000100
butorphanol
1
morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		2008200816.0low000100
cefodizime
2
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor		2005200817.5low000200
methylnaltrexone
1
phenanthrenes2008200816.0low000100
cefixime
1
cephalosporinantibacterial drug;
drug allergen		2008200816.0low000100
lisinopril
1
dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2008200816.0low000100
indinavir sulfate
2
dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor2005200817.5low000200
enalaprilat anhydrous
1
dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2008200816.0low000100
cefuroxime
1
3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen2008200816.0low000100
ceftriaxone
2
1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor		2005200817.5low000200
cefepime
2
cephalosporin;
oxime O-ether		antibacterial drug2005200817.5low000200
hr 810
1
cephalosporin;
cyclopentapyridine		2008200816.0low000100
ceftazidime
1
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor		2008200816.0low000100
cefetamet
1
cephalosporin2008200816.0low000100
famotidine
1
1,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2008200816.0low000100
cefotaxime
1
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen		2008200816.0low000100
aztreonam
2
beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor		2005200817.5low000200
ginkgolide b
1
2008200816.0low000100
ro 42-5892
2
cyclopropanes;
diol;
L-histidine derivative;
secondary carboxamide;
sulfone		antihypertensive agent;
EC 3.4.23.15 (renin) inhibitor;
peptidomimetic;
vasodilator agent		2005200519.0low000200
palonosetron
1
azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist		2008200816.0low000100
cefatrizine
1
amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor		2008200816.0low000100
eniporide
1
2008200816.0low000100
cilastatin
1
carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic		2008200816.0low000100
ixabepilone
1
1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent		2008200816.0low000100
gavestinel
1
2005200519.0medium000100
azlocillin
1
penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
verlukast
1
2008200816.0low000100
ceftizoxime
2
cephalosporinantibacterial drug2005200817.5low000200
cefclidin
1
cephalosporin;
thiadiazoles		2005200519.0low000100
carumonam
1
monobactamantibacterial drug2008200816.0low000100
nitrofurantoin
1
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent		2008200816.0low000100
eritoran
1
lipid As2008200816.0low000100
dantrolene
1
2008200816.0low000100
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		2008200816.0low000100
dexniguldipine
1
diarylmethane2008200816.0low000100
napsagatran
2
2005200817.5low000200
temsirolimus
1
macrolide lactam2008200816.0low000100
ganaxolone
1
corticosteroid hormone2005200519.0low000100
bms188797
1
2008200816.0medium000100
azimilide
1
imidazolidine-2,4-dione2008200816.0low000100
cefozopran
1
cephalosporin;
imidazopyridazine;
thiadiazoles		2005200519.0medium000100
tomopenem
1
2008200816.0low000100
bb-83698
1
2008200816.0medium000100
sb 242235
1
2005200519.0low000100
zotarolimus
1
lactam;
macrolide		2008200816.0low000100
gentamicin sulfate
1
2008200816.0low000100
bn 52020
1
2008200816.0low000100
vindesine
1
2008200816.0low000100
moxestrol
1
3-hydroxy steroid2005200519.0low000100
scopolamine hydrobromide
1
2008200816.0low000100
bisaramil
1
2008200816.0low000100
teicoplanin
1
2008200816.0high000100
ly-146032
1
heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics		2008200816.0low000100
dalbavancin
1
carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative		antibacterial drug;
antimicrobial agent		2008200816.0medium000100
cetrorelix
1
oligopeptideantineoplastic agent;
GnRH antagonist		2008200816.0low000100
tetracycline
1
2008200816.0low000100
chlortetracycline
1
2008200816.0low000100
oxytetracycline, anhydrous
1
2008200816.0low000100
minocycline
1
2008200816.0low000100
roquinimex
1
aromatic amide2008200816.0low000100
mobic
2
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2005200817.5low000200
mobiflex
1
heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008200816.0low000100
isoxicam
1
benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug		2008200816.0low000100
warfarin
2
benzenes;
hydroxycoumarin;
methyl ketone		2005200817.5low000200
demeclocycline
1
2008200816.0low000100
rolitetracycline
1
2008200816.0low000100
sudoxicam
2
2005200519.0medium000200
tigecycline
1
2008200816.0low000100
acyclovir
2
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2005200817.5low000200
rifampin
1
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		2008200816.0low000100
clozapine
1
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		2008200816.0low000100
dacarbazine
1
dacarbazine2008200816.0low000100
didanosine
2
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor		2005200817.5low000200
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2008200816.0low000100
sildenafil
1
piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2008200816.0low000100
penciclovir
1
2-aminopurines;
propane-1,3-diols		antiviral drug2008200816.0low000100
vardenafil
1
imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2008200816.0low000100
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2008200816.0low000100
leucovorin
1
formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite		2008200816.0low000100
tegaserod
1
carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist		2008200816.0low000100
tirapazamine
1
aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer		2008200816.0low000100
pelrinone
2
2005200519.0medium000200
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		2008200816.0low000100
ceftobiprole
1
cephalosporin;
thiadiazoles		antimicrobial agent2008200816.0low000100
rifabutin
1
2008200816.0low000100
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
glycerol
1
alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent		1994199430.0low001000
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		1998199826.0low001000
aspirin
11
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		1993202324.5low109011
dipyridamole
1
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		1993199331.0low001000
furegrelate
1
benzofurans2003200321.0low000100
glyburide
1
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		1994199430.0low001000
hexamethonium
1
quaternary ammonium salt1997199727.0low001000
indomethacin
1
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		1997199727.0low001000
losartan
1
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		1996199628.0low001000
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		1997199727.0low001000
tetraethylammonium
1
quaternary ammonium ion1998199826.0low001000
ticlopidine
1
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		1993199331.0low001000
phenylephrine
1
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		2001200123.0low000100
pyrroles
1
pyrrole;
secondary amine		2001200123.0low000100
thiophenes
1
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent201520159.0low000010
n-heptane
1
alkane;
volatile organic compound		non-polar solvent;
plant metabolite		1993199331.0low001000
oxazoles
40
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		1992201925.6low3030730
hydrazine
3
azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor1993199630.0low003000
ng-nitroarginine methyl ester
2
alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor1998200323.5low001100
bm 13505
1
2003200321.0low000100
atorvastatin
1
aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic		2001200123.0low000100
web 2086
2
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		1993199928.0low002000
triazoles
2
1,2,3-triazole1993199928.0low002000
masoprocol
1
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		1999199925.0low001000
cremophor el
1
1994199430.0low001000
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
2
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		1999201517.0low001010
thromboxanes
1
202320231.0low000001
phenylalanyl-prolyl-arginine-chloromethyl ketone
1
1993199331.0low001000
3-methyl-2-(3-pyridyl)-1-indoleoctanoic acid
1
2013201311.0low000010
pd 145065
1
2002200222.0low000100
angiotensin ii
2
amino acid zwitterion;
angiotensin II		human metabolite2002200421.0low000200
benzofurans
1
2003200321.0low000100
fibrin
1
peptide1996199628.0low001000
nitroarginine
1
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		2004200420.0low000100
arachidonic acid
2
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		1995199927.0low002000
prostaglandin h2
1
olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite2001200123.0low000100
prostaglandin d2
1
prostaglandins Dhuman metabolite;
mouse metabolite		2003200321.0low000100
ricinoleic acid
1
(9Z)-12-hydroxyoctadec-9-enoic acid1994199430.0low001000
sc 560
1
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		2004200420.0low000100
dinoprostone
2
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		1993202316.0low001001
dinoprost
1
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		1996199628.0low001000
thromboxane a2
12
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite1992201525.0low008310
8,11,14-eicosatrienoic acid
1
fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical		2004200420.0low000100
leukotriene e4
1
amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol		202320231.0low000001
8-epi-prostaglandin f2alpha
1
F2-isoprostanebiomarker;
bronchoconstrictor agent;
vasoconstrictor agent		1996199628.0low001000
thromboxane b2
3
thromboxanes Bhuman metabolite;
mouse metabolite		1993200326.3low002100
sq 30741
1
1992199232.0low001000
sq 29548
3
1993199630.0low003000
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid
7
1992200427.7low006100
enalapril
1
dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug		1999199925.0low101000
7-(3-(3-hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid
1
1993199331.0low001000
vapiprost
1
1993199331.0low001000
prasugrel hydrochloride
1
201520159.0low000010
endothelin-1
2
2002200421.0low000200
warfarin
1
benzenes;
hydroxycoumarin;
methyl ketone		1993199331.0low001000
transforming growth factor beta
1
1997199727.0low001000
transforming growth factor alpha
1
1997199727.0low001000
cyclosporine
1
1994199430.0low001000
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Alcoholic Fatty Liver0
2
1997201319.0low001010
Alcoholic Liver Diseases0
1
1997199727.0low001000
Alloxan Diabetes0
1
2002200222.0low000100
Angina Pectoris0
1
1994199430.0low001000
Angor Pectoris0
1
1994199430.0low001000
Anti-Phospholipid Antibody Syndrome0
1
1994199430.0low001000
Antiphospholipid Syndrome0
1
1994199430.0low001000
Aortic Coarctation0
1
1997199727.0low001000
Apoplexy0
1
2001200123.0low000100
Arteriosclerosis0
1
2003200321.0low000100
Aspirin Induced Asthma0
2
201520235.0low000011
Bacterial Infections, Gram-Negative0
1
1999199925.0low001000
Becker Muscular Dystrophy0
1
201920195.0low000010
Blood Clot0
4
1993200127.8low003100
Blood Pressure, High0
7
1995200226.0low005200
Brain Vascular Disorders0
1
1996199628.0low001000
Cardiac Diseases0
1
1999199925.0low001000
Cardiac Failure0
1
1999199925.0low101000
Cardiomyopathies0
1
201920195.0low000010
Cardiomyopathies, Primary0
1
201920195.0low000010
Cardiovascular Stroke0
1
1995199529.0low001000
Carotid Arteriopathies, Traumatic0
1
1996199628.0low001000
Carotid Artery Thrombosis0
2
1993199331.0low002000
Cerebrovascular Disorders0
1
1996199628.0low001000
Cirrhosis0
1
2013201311.0low000010
Coarctation of Aorta0
1
1997199727.0low001000
Disease Models, Animal0
6
1993201924.5low004110
Elevated Cholesterol0
2
2001200322.0low000200
Endotoxin Shock0
1
1999199925.0low001000
Fetal Resorption0
1
1994199430.0low001000
Fibrosis0
1
2013201311.0low000010
Focal Segmental Glomerulosclerosis0
1
2001200123.0low000100
Genetic Predisposition0
1
1996199628.0low001000
Glomerulosclerosis, Focal Segmental0
1
2001200123.0low000100
Goldblatt Syndrome0
1
1996199628.0low001000
Graft Occlusion, Vascular0
1
1997199727.0low001000
Gram-Negative Bacterial Infections0
1
1999199925.0low001000
Heart Disease, Ischemic0
4
1994200128.0low003100
Heart Diseases0
1
1999199925.0low001000
Heart Failure0
1
1999199925.0low101000
Hypercholesterolemia0
2
2001200322.0low000200
Hyperlipemia0
1
2003200321.0low000100
Hyperlipidemias0
1
2003200321.0low000100
Hypertension0
7
1995200226.0low005200
Hypertension, Pulmonary0
1
1999199925.0low001000
Hypertension, Renovascular0
1
1996199628.0low001000
Hypertriglyceridemia0
1
2003200321.0low000100
Injuries0
1
1997199727.0low001000
Injury, Myocardial Reperfusion0
3
1994199529.7low003000
Ischemia0
1
1997199727.0low001000
Leg Ulcer0
1
1997199727.0low001000
Liver Diseases, Alcoholic0
1
1997199727.0low001000
Muscle Contraction0
2
1993200127.0low001100
Muscular Dystrophy, Duchenne1
1
201920195.0low000010
Myocardial Infarction0
1
1995199529.0low001000
Myocardial Ischemia0
4
1994200128.0low003100
Pregnancy0
1
1994199430.0low001000
Pulmonary Hypertension0
1
1999199925.0low001000
Shock, Septic0
1
1999199925.0low001000
Sinus Infections0
1
202320231.0low000001
Sinusitis0
1
202320231.0low000001
Stasis Ulcer0
1
1998199826.0low101000
Stroke0
1
2001200123.0low000100
Thrombosis0
4
1993200127.8low003100
Varicose Ulcer0
1
1998199826.0low101000
Wounds and Injuries0
1
1997199727.0low001000

Long-term Use (1)

ArticleYear
Effect of ifetroban, a thromboxane A2 receptor antagonist, in stroke-prone spontaneously hypertensive rats.
Clinical and experimental hypertension (New York, N.Y. : 1993), , Volume: 18, Issue:2		1996

Pharmacokinetics (3)

ArticleYear
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 36, Issue:7		2008
Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.
Journal of pharmaceutical sciences, , Volume: 94, Issue:7		2005
Inhibition of prostaglandin D2 clearance in rat hepatocytes by the thromboxane receptor antagonists daltroban and ifetroban and the thromboxane synthase inhibitor furegrelate.
Biochemical pharmacology, , Aug-15, Volume: 66, Issue:4		2003

Bioavailability (1)

ArticleYear
Disposition of radiolabeled ifetroban in rats, dogs, monkeys, and humans.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 28, Issue:8		2000

Dosage (2)

ArticleYear
Atorvastatin prevents glomerulosclerosis and renal endothelial dysfunction in hypercholesterolaemic rabbits.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, , Volume: 16 Suppl 1		2001
Antiplatelet activity of the long-acting thromboxane receptor antagonist BMS 180,291 in monkeys.
Prostaglandins, , Volume: 44, Issue:5		1992