Compounds > almokalant
Page last updated: 2024-07-31 16:22:18

almokalant

Description

almokalant: structure given in first source [MeSH]

Cross-References

ID SourceID
PubMed CID3033962
CHEMBL ID362103
SCHEMBL ID247121
MeSH IDM0200734

Synonyms (16)

Synonym
4-(3-{ethyl-[3-(propane-1-sulfinyl)-propyl]-amino}-2-hydroxy-propoxy)-benzonitrile
bdbm50151869
almokalant
CHEMBL362103 ,
4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile
123955-10-2
SCHEMBL247121
4-[3-[ethyl[3-(propylsulfinyl)-propyl]amino]-2-hydroxypropoxy]benzonitrile
4-[3-[ethyl[3-(propylsulfinyl)propyl]amino]-2-hydroxypropoxy]-benzonitrile
ZMHOBBKJBYLXFR-UHFFFAOYSA-N
HY-106855
CS-0026741
DTXSID40869693
h 234/09
Q1426422
AKOS040741090

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Bile salt export pumpHomo sapiens (human)IC5055.7500AID1449628
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)IC500.1275AID240820; AID386536

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
UDP-glucuronosyltransferase 1A9Homo sapiens (human)Km1,060.0000AID624637
UDP-glucuronosyltransferase 2B7Homo sapiens (human)Km970.0000AID624640

Bioassays (6)

Assay IDTitleYearJournalArticle
AID240820Inhibitory concentration against IKr potassium channel2004Bioorganic & medicinal chemistry letters, Sep-20, Volume: 14, Issue:18
ISSN: 0960-894X		The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.
AID386536Inhibition of human ERG potassium channel2008Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7
ISSN: 1464-3391		A binary QSAR model for classification of hERG potassium channel blockers.
AID384955Intrinsic aqueous solubility at pH 10 by shake-flask method2008Journal of medicinal chemistry, May-22, Volume: 51, Issue:10
ISSN: 0022-2623		Molecular characteristics for solid-state limited solubility.
AID624640Drug glucuronidation reaction catalyzed by human recombinant UGT2B72005Pharmacology & therapeutics, Apr, Volume: 106, Issue:1
ISSN: 0163-7258		UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID1449628Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method2012Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12
ISSN: 1521-009X		Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
AID624637Drug glucuronidation reaction catalyzed by human recombinant UGT1A92005Pharmacology & therapeutics, Apr, Volume: 106, Issue:1
ISSN: 0163-7258		UDP-glucuronosyltransferases and clinical drug-drug interactions.

Research

Studies (68)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's43 (63.24)18.2507
2000's21 (30.88)29.6817
2010's4 (5.88)24.3611
2020's0 (0.00)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials6 (8.57%)5.53%
Reviews2 (2.86%)6.00%
Case Studies2 (2.86%)4.05%
Observational0 (0.00%)0.25%
Other60 (85.71%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
adenine
1
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2012201212.0low000010
benzoic acid
1
benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite		2008200816.0low000100
betaine
1
amino-acid betaine;
glycine derivative		fundamental metabolite2012201212.0low000010
carnitine
1
amino-acid betainehuman metabolite;
mouse metabolite		2012201212.0low000010
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		2012201212.0low000010
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		2008200816.0low000100
bupropion
1
aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic		2012201212.0low000010
guaiacol
1
guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite		2012201212.0low000010
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		2012201212.0low000010
acetanilide
1
acetamides;
anilide		analgesic2012201212.0low000010
pyridoxine
1
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
enprofylline
1
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		2012201212.0low000010
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2004200420.0low000100
phenytoin
2
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2004200818.0low000200
oxyquinoline
1
monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator		2012201212.0low000010
tacrine
1
acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor2012201212.0low000010
acetaminophen
2
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2005201215.5low000110
acetarsol
1
acetamides;
anilide		2012201212.0low000010
ethacridine
1
acridines2012201212.0low000010
4-(acetylamino)benzeneacetic acid
1
acetamides;
anilide		2012201212.0low000010
adiphenine
1
diarylmethane2012201212.0low000010
aklomide
1
carbonyl compound;
organohalogen compound		2012201212.0low000010
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2012201212.0low000010
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
altretamine
1
triamino-1,3,5-triazine2012201212.0low000010
aminoglutethimide
1
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2012201212.0low000010
p-aminohippuric acid
1
N-acylglycineDaphnia magna metabolite2012201212.0low000010
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug2012201212.0low000010
amitriptyline
1
carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic		2005200519.0low000100
amlodipine
1
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		2012201212.0low000010
amobarbital
1
barbiturates2008200816.0low000100
amodiaquine
1
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug		2012201212.0low000010
amoxapine
1
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2012201212.0low000010
amprolium
1
pyridinium ioncoccidiostat2012201212.0low000010
amsacrine
1
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2008200816.0low000100
antazoline
1
aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic		2012201212.0low000010
antipyrine
1
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2012201212.0low000010
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
1
aporphine alkaloid2012201212.0low000010
arecoline
1
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist		2012201212.0low000010
astemizole
2
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		2004201216.0low000110
azathioprine
1
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2012201212.0low000010
bendroflumethiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		2012201212.0low000010
benserazide
1
carbohydrazide;
catechols;
primary alcohol;
primary amino compound		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2012201212.0low000010
benzocaine
2
benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic		2008201214.0low000110
benzothiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		2012201212.0low000010
bepridil
2
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2004201216.0low000110
betaxolol
1
propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2012201212.0low000010
bethanechol
1
carbamate ester;
quaternary ammonium ion		muscarinic agonist2012201212.0low000010
bisacodyl
1
diarylmethane2012201212.0low000010
bretylium
1
quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		2012201212.0low000010
bromhexine
1
organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic2012201212.0low000010
seratrodast
1
organic molecular entity2012201212.0low000010
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2012201212.0low000010
buspirone
1
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		2012201212.0low000010
busulfan
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		2012201212.0low000010
butacaine
1
benzoate ester2012201212.0low000010
butamben
1
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic2012201212.0low000010
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2012201212.0low000010
verapamil
2
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2004201216.0low000110
carbamylcholine
1
2012201212.0low000010
carbamazepine
2
dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic		2005201215.5low000110
carbinoxamine
1
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist		2012201212.0low000010
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2012201212.0low000010
carteolol
1
quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2012201212.0low000010
carvedilol
1
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		2004200420.0low000100
cetirizine
1
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic		2004200420.0low000100
chlordiazepoxide
1
benzodiazepine2008200816.0low000100
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2004200420.0low000100
chloroxylenol
1
monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide		2012201212.0low000010
chlorpheniramine
1
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		2004200420.0low000100
chlorpromazine
1
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		2012201212.0low000010
chlorpropamide
2
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2008201214.0low000110
cifenline
1
diarylmethane2004200420.0low000100
cimetidine
2
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2005201215.5low000110
aricine
1
cinchona alkaloid2012201212.0low000010
ciprofloxacin
1
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		2012201212.0low000010
clofilium
1
benzenes;
organic amino compound		2004200420.0low000100
clomiphene
1
tertiary amineestrogen antagonist;
estrogen receptor modulator		2012201212.0low000010
clomipramine
2
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor		2005201215.5low000110
clotrimazole
1
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		2012201212.0low000010
cloxyquin
1
organochlorine compound;
quinolines		2012201212.0low000010
cromolyn
1
chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker		2012201212.0low000010
cyclandelate
1
carboxylic ester;
secondary alcohol		vasodilator agent2012201212.0low000010
cyclobenzaprine
1
carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug		2012201212.0low000010
cyproheptadine
1
piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist		2005200519.0low000100
dapsone
2
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		2005201215.5low000110
debrisoquin
1
carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent		2012201212.0low000010
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		2012201212.0low000010
diazepam
1
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic		2005200519.0low000100
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		2012201212.0low000010
dibenzothiophene
1
dibenzothiophenes;
mancude organic heterotricyclic parent		keratolytic drug2012201212.0low000010
dibucaine
1
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic2012201212.0low000010
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		2005201215.5low000110
dichlorphenamide
1
dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug		2012201212.0low000010
dicyclomine
1
carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic		2012201212.0low000010
diflunisal
1
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2005200519.0low000100
dilacor xr
1
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		2012201212.0low000010
dimethadione
1
oxazolidinone2012201212.0low000010
diphenylpyraline
1
piperidines;
tertiary amine		cholinergic antagonist;
H1-receptor antagonist		2012201212.0low000010
disopyramide
2
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2004200818.0low000200
disulfiram
1
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		2012201212.0low000010
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		2005201215.5low000110
donepezil
1
aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent		2012201212.0low000010
doxylamine
1
pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative		2012201212.0low000010
droperidol
1
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2012201212.0low000010
dyclonine
1
aromatic ketone;
piperidines		topical anaesthetic2012201212.0low000010
dyphylline
1
oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent		2012201212.0low000010
e 4031
1
sulfonamide2004200420.0low000100
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		2012201212.0low000010
econazole
1
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes		2012201212.0low000010
profenamine
1
phenothiazines;
tertiary amino compound		adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist		2012201212.0low000010
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2012201212.0low000010
ethotoin
1
imidazolidine-2,4-dioneanticonvulsant2012201212.0low000010
etidronate
1
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		2012201212.0low000010
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		2012201212.0low000010
fenoldopam
1
benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent		2012201212.0low000010
fenoprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2005200519.0low000100
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		2012201212.0low000010
flecainide
1
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug2012201212.0low000010
fluconazole
1
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		2005200519.0low000100
flufenamic acid
1
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2005200519.0low000100
fluphenazine
1
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2012201212.0low000010
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2012201212.0low000010
flunitrazepam
1
1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative		2005200519.0low000100
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2012201212.0low000010
fluoxetine
1
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound		2012201212.0low000010
flurbiprofen
2
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2005201215.5low000110
fluspirilene
1
diarylmethane2004200420.0low000100
flutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2012201212.0low000010
furosemide
3
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2005201215.7low000210
gabapentin
1
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2012201212.0low000010
glafenine
1
aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2012201212.0low000010
gliclazide
1
N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger		2012201212.0low000010
glimepiride
1
sulfonamide2012201212.0low000010
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
2
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2008201214.0low000110
guaifenesin
1
methoxybenzenes2012201212.0low000010
guanethidine
1
azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent		2012201212.0low000010
haloperidol
2
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2004201216.0low000110
hexoprenaline
1
2012201212.0low000010
hexamethylene bisacetamide
1
acetamides2012201212.0low000010
hycanthone
1
thioxanthenesmutagen;
schistosomicide drug		2012201212.0low000010
hydralazine
1
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent		2012201212.0low000010
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		2012201212.0low000010
hydroxyzine
1
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist		2012201212.0low000010
ibuprofen
2
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2005201215.5low000110
phenelzine
1
primary amine2012201212.0low000010
lidocaine
1
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		2008200816.0low000100
imipramine
1
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2005200519.0low000100
amrinone
1
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2012201212.0low000010
indapamide
1
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		2012201212.0low000010
indomethacin
2
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		2005201215.5low000110
indoprofen
1
gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008200816.0low000100
iodoquinol
1
monohydroxyquinoline;
organoiodine compound		antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug		2012201212.0low000010
iproniazid
1
carbohydrazide;
pyridines		2012201212.0low000010
isoetharine
1
catecholamine2012201212.0low000010
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		2012201212.0low000010
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		2012201212.0low000010
isoxsuprine
1
alkylbenzene2012201212.0low000010
ketoconazole
2
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2008201214.0low000110
ketoprofen
2
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2005200817.5low000200
ketotifen
2
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist		2005201215.5low000110
labetalol
2
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		2008201214.0low000110
leflunomide
1
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		2012201212.0low000010
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2012201212.0low000010
lorazepam
2
benzodiazepine2005200817.5low000200
losartan
1
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		2012201212.0low000010
ly 171883
1
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		2012201212.0low000010
meclofenamic acid
1
aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2012201212.0low000010
mefenamic acid
1
aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2005200519.0low000100
mefloquine hydrochloride
1
organofluorine compound;
piperidines;
quinolines;
secondary alcohol		2004200420.0low000100
memantine
1
adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		2012201212.0low000010
mephenesin
1
aromatic ether;
glycerol ether		2012201212.0low000010
mephenytoin
1
imidazolidine-2,4-dioneanticonvulsant2012201212.0low000010
benzoic acid [2-methyl-2-(propylamino)propyl] ester
1
benzoate ester2012201212.0high000010
mesalamine
1
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug2012201212.0low000010
metaproterenol
1
aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound		2012201212.0low000010
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2012201212.0low000010
methadone
1
benzenes;
diarylmethane;
ketone;
tertiary amino compound		2005200519.0low000100
methapyrilene
1
ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2012201212.0low000010
methocarbamol
1
aromatic ether;
carbamate ester;
secondary alcohol		2012201212.0low000010
metolazone
1
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		2008200816.0low000100
metyrapone
1
aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor		2012201212.0low000010
mianserin
1
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist		2012201212.0low000010
miconazole
1
dichlorobenzene;
ether;
imidazoles		2012201212.0low000010
minoxidil
1
dialkylarylamine;
tertiary amino compound		2012201212.0low000010
mitotane
1
diarylmethane2012201212.0low000010
acecainide
2
acetamides;
benzamides		anti-arrhythmia drug2004201216.0low000110
nadolol
1
tetralins2012201212.0low000010
nafronyl
1
naphthalenes2012201212.0low000010
naftopidil
1
piperazines2012201212.0low000010
naphazoline
1
naphthalenes2012201212.0low000010
nefazodone
1
aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor		2012201212.0low000010
neostigmine
1
quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		2012201212.0low000010
nevirapine
2
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008201214.0low000110
nicardipine
1
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		2012201212.0low000010
nifedipine
2
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2004201216.0low000110
nifekalant
1
amine2004200420.0low000100
niflumic acid
1
aromatic carboxylic acid;
pyridines		2005200519.0low000100
nilvadipine
1
dihydropyridine;
isopropyl ester;
methyl ester;
nitrile		2012201212.0low000010
nisoldipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester		2004200420.0low000100
nitromide
1
2012201212.0low000010
nomifensine
1
isoquinolinesdopamine uptake inhibitor2012201212.0low000010
nortriptyline
1
organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite		2005200519.0low000100
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
1
isoquinolines2012201212.0medium000010
nylidrin
1
alkylbenzene2012201212.0low000010
ofloxacin
1
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2012201212.0low000010
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2008200816.0low000100
orphenadrine
1
ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		2012201212.0low000010
oxazepam
2
1,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic		2005200817.5low000200
oxethazaine
1
amino acid amide2012201212.0low000010
oxibendazole
1
benzimidazoles;
carbamate ester		2012201212.0low000010
oxprenolol
1
aromatic ether2012201212.0low000010
benoxinate
1
amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic		2012201212.0low000010
papaverine
1
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		2012201212.0low000010
pargyline
1
aromatic amine2012201212.0low000010
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		2012201212.0low000010
pentobarbital
1
barbituratesGABAA receptor agonist2004200420.0low000100
perhexiline
1
piperidinescardiovascular drug2012201212.0low000010
perphenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2012201212.0low000010
phenacemide
1
acetamides2012201212.0low000010
phenacetin
1
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		2008200816.0low000100
phenazopyridine
1
diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic		2008200816.0low000100
phenobarbital
1
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative		2004200420.0low000100
phenylbutazone
1
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		2005200519.0low000100
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
1
pyrroloindole2012201212.0medium000010
pinacidil
1
pyridines2012201212.0low000010
pioglitazone
1
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		2012201212.0low000010
piracetam
1
organonitrogen compound;
organooxygen compound		2012201212.0low000010
pirenzepine
1
pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist		2012201212.0low000010
piretanide
1
aromatic ether2012201212.0low000010
practolol
1
acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist		2012201212.0low000010
duodote
1
pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator		2012201212.0low000010
praziquantel
1
isoquinolines2012201212.0low000010
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2012201212.0low000010
primaquine
2
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial2008201214.0low000110
proadifen
1
diarylmethane2012201212.0low000010
probenecid
2
benzoic acids;
sulfonamide		uricosuric drug2005201215.5low000110
probucol
1
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		2012201212.0low000010
procaine
2
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		2008201214.0low000110
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		2012201212.0low000010
propafenone
2
aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug2004201216.0low000110
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2005200519.0low000100
propranolol
2
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		2008201214.0low000110
protriptyline
1
carbotricyclic compoundantidepressant2012201212.0low000010
pyrilamine
2
aromatic ether;
ethylenediamine derivative		H1-receptor antagonist2004201216.0low000110
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		2012201212.0low000010
riluzole
1
benzothiazoles2012201212.0low000010
risperidone
2
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist		2004201216.0low000110
rofecoxib
1
butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2012201212.0low000010
roxarsone
1
2-nitrophenols;
organoarsonic acid		agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat		2012201212.0low000010
salicylamide
1
phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic		2012201212.0low000010
salicylsalicylic acid
1
benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2012201212.0low000010
secobarbital
1
barbituratesanaesthesia adjuvant;
GABA modulator;
sedative		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		2012201212.0low000010
spiperone
1
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		2012201212.0low000010
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2012201212.0low000010
succinylsulfathiazole
1
1,3-thiazoles2012201212.0low000010
sulfacetamide
1
N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		2012201212.0low000010
sulfadimethoxine
1
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		2012201212.0low000010
sulfamerazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen		2012201212.0low000010
sulfamethazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic		2012201212.0low000010
sulfamethizole
1
sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		2012201212.0low000010
sulfamethoxazole
1
isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic		2012201212.0low000010
sulfathiazole
1
1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		2005200519.0low000100
sulfinpyrazone
1
pyrazolidines;
sulfoxide		uricosuric drug2005200519.0low000100
sulfisoxazole
2
isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen		2005201215.5low000110
sulpiride
1
benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2012201212.0low000010
telenzepine
1
benzodiazepine2012201212.0low000010
temazepam
1
benzodiazepine2005200519.0low000100
terfenadine
2
diarylmethane2004201216.0low000110
tetracaine
1
benzoate ester;
tertiary amino compound		local anaesthetic2012201212.0low000010
tetrahydroxy-1,4-quinone
1
hydroxybenzoquinonekeratolytic drug2012201212.0low000010
thalidomide
1
phthalimides;
piperidones		2012201212.0low000010
thiabendazole
1
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		2012201212.0low000010
2-thiosalicylic acid
1
sulfanylbenzoic acidantipyretic;
non-narcotic analgesic		2012201212.0low000010
thioridazine
1
phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2012201212.0low000010
thiotepa
1
aziridines2012201212.0low000010
ticlopidine
1
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		2012201212.0low000010
tolazamide
1
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2012201212.0low000010
tolazoline
1
imidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent		2012201212.0low000010
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2012201212.0low000010
tolnaftate
1
monothiocarbamic esterantifungal drug2012201212.0low000010
trapidil
1
triazolopyrimidines2012201212.0low000010
triazolam
1
triazolobenzodiazepinesedative2008200816.0low000100
trifluoperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		2012201212.0low000010
trifluperidol
1
aromatic ketone2012201212.0low000010
triflupromazine
1
organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2012201212.0low000010
trimebutine
1
trihydroxybenzoic acid2012201212.0low000010
trimeprazine
1
phenothiazines2012201212.0low000010
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2012201212.0low000010
trioxsalen
1
psoralensdermatologic drug;
photosensitizing agent		2012201212.0low000010
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		2005201215.5low000110
tropicamide
1
acetamides2012201212.0low000010
tulobuterol
1
organochlorine compound2012201212.0low000010
delavirdine
1
aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
urapidil
1
piperazines2012201212.0low000010
urethane
1
carbamate esterfungal metabolite;
mutagen		2012201212.0low000010
venlafaxine
1
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		2012201212.0low000010
vesnarinone
1
organic molecular entity2004200420.0low000100
xylazine
1
1,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative		2012201212.0low000010
xylometazoline
1
alkylbenzene2012201212.0low000010
zomepirac
1
aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug		2005200519.0low000100
hydrocortisone acetate
1
cortisol ester;
tertiary alpha-hydroxy ketone		2008200816.0low000100
cortisone acetate
1
corticosteroid hormone2008200816.0low000100
corticosterone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		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		2012201212.0low000010
estriol
1
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite		2012201212.0low000010
reserpine
1
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2012201212.0low000010
phentolamine
1
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		2012201212.0low000010
piperonyl butoxide
1
benzodioxolespesticide synergist2012201212.0low000010
prednisolone acetate
1
corticosteroid hormone2008200816.0low000100
cyclobarbital
1
barbiturates2008200816.0low000100
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		2012201212.0low000010
penicillin g
1
penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope		2012201212.0low000010
metaraminol
1
phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent		2012201212.0low000010
pentylenetetrazole
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound		2012201212.0low000010
chloramphenicol
2
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		2005201215.5low000110
ethinyl estradiol
2
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen2005201215.5low000110
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2012201212.0low000010
ethopabate
1
amidobenzoic acid2012201212.0low000010
cysteamine
1
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		2012201212.0low000010
acepromazine
1
aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug2012201212.0low000010
methoxamine
1
amphetaminesalpha-adrenergic agonist;
antihypotensive agent		2012201212.0low000010
cloxacillin
1
penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug		2012201212.0low000010
zoxazolamine
1
benzoxazole2012201212.0low000010
berlition
1
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group		2012201212.0low000010
desoxycorticosterone
1
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2012201212.0low000010
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2012201212.0low000010
triamcinolone diacetate
1
corticosteroid hormone2008200816.0low000100
norethindrone
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive		2012201212.0low000010
cycloserine
1
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		2012201212.0low000010
trifluridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		2012201212.0low000010
mepenzolate bromide
1
diarylmethane2012201212.0low000010
pantothenic acid
1
pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite		2012201212.0low000010
sulfachlorpyridazine
1
organochlorine compound;
pyridazines;
sulfonamide		antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		2012201212.0low000010
methylprednisolone
1
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		2012201212.0low000010
phensuximide
1
pyrrolidines2012201212.0low000010
dimethisoquin
1
isoquinolines2012201212.0medium000010
synephrine
1
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		2012201212.0low000010
pyridostigmine bromide
1
pyridinium salt2012201212.0low000010
benzonatate
1
benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive		2012201212.0low000010
phenformin
1
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent		2012201212.0low000010
ethyl-p-hydroxybenzoate
1
ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite		2008200816.0low000100
cinchophen
1
quinolines2012201212.0low000010
chloroprocaine
1
benzoate ester;
monochlorobenzenes		central nervous system depressant;
local anaesthetic;
peripheral nervous system drug		2012201212.0low000010
yohimbine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist		2012201212.0low000010
ditiocarb
1
dithiocarbamic acidschelator;
copper chelator		2012201212.0low000010
propantheline bromide
1
xanthenes2012201212.0low000010
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
fluorometholone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug2012201212.0low000010
dihydralazine
1
phthalazines2012201212.0low000010
heptabarbital
1
barbiturates2008200816.0low000100
dimenhydrinate
1
diarylmethane2012201212.0low000010
4-(benzoylamino)-2-hydroxybenzoic acid
1
benzamides2012201212.0low000010
megestrol acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		2012201212.0low000010
trimetozine
1
morpholines2012201212.0low000010
erythromycin
1
cyclic ketone;
erythromycin		2004200420.0low000100
docosanol
1
docosanol;
long-chain primary fatty alcohol		antiviral drug;
plant metabolite		2012201212.0low000010
tetramethylpyrazine
1
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		2012201212.0low000010
flurandrenolone
1
21-hydroxy steroid2012201212.0low000010
amiloride
1
aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker		2012201212.0low000010
pimozide
2
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2004201216.0low000110
flumethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug2012201212.0low000010
sulfadoxine
1
pyrimidines;
sulfonamide		antibacterial drug;
antimalarial		2012201212.0low000010
dicloxacillin
1
dichlorobenzene;
penicillin		antibacterial drug2012201212.0low000010
tranylcypromine
1
2-phenylcyclopropan-1-amine2012201212.0low000010
beclomethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		2012201212.0low000010
floxacillin
1
penicillin allergen;
penicillin		antibacterial drug2012201212.0low000010
terodiline
1
diarylmethane2004200420.0low000100
(1S,2R)-tranylcypromine
1
2-phenylcyclopropan-1-amine2012201212.0low000010
parbendazole
1
benzimidazoles;
carbamate ester		2012201212.0low000010
levamisole
1
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator		2012201212.0low000010
danazol
1
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2012201212.0low000010
didesethylflurazepam
1
1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
primary amino compound		anticonvulsant;
anxiolytic drug;
drug metabolite;
GABAA receptor agonist;
sedative		2008200816.0low000100
metergoline
1
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		2012201212.0low000010
clonixin
1
aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		2005200519.0low000100
fenclozic acid
1
2012201212.0low000010
capobenic acid
1
benzamides2012201212.0low000010
diftalone
1
2012201212.0low000010
alclofenac
1
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008200816.0medium000100
carbimazole
1
1,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug		2012201212.0low000010
triamcinolone
1
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		2008200816.0low000100
ursodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		2012201212.0low000010
rose bengal b disodium salt
1
2012201212.0low000010
amoxicillin
1
penicillin allergen;
penicillin		antibacterial drug2012201212.0low000010
indoramin
1
tryptamines2012201212.0low000010
carbidopa
1
catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2012201212.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2005200519.0low000100
etoposide
1
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2005200519.0low000100
dobutamine
1
catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2012201212.0low000010
trimazosin
1
N-arylpiperazine2008200816.0low000100
halofantrine
1
phenanthrenes2004200420.0low000100
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2012201212.0low000010
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2012201212.0low000010
benoxaprofen
1
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		2012201212.0low000010
torsemide
1
aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic		2012201212.0low000010
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		2005200519.0low000100
piperacillin
1
penicillin allergen;
penicillin		antibacterial drug2012201212.0low000010
indalpine
1
indoles2012201212.0low000010
5,5-diphenylbarbituric acid
1
2008200816.0medium000100
lidamidine
1
ureas2012201212.0low000010
talniflumate
1
benzofurans2012201212.0low000010
nedocromil
1
dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug		2012201212.0low000010
dazoxiben
1
2012201212.0low000010
tolrestat
1
naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor2012201212.0low000010
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		2012201212.0low000010
remoxipride
1
dimethoxybenzene2012201212.0low000010
quinapril
1
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2012201212.0low000010
alpidem
1
imidazoles2012201212.0low000010
dopexamine
1
catecholamine2012201212.0low000010
lonapalene
1
naphthalenes;
organochlorine compound		2012201212.0low000010
ipsapirone
1
N-arylpiperazine2012201212.0low000010
sematilide
1
2012201212.0low000010
zileuton
1
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		2012201212.0low000010
remacemide
1
stilbenoid2012201212.0low000010
mibefradil
1
tetralinsT-type calcium channel blocker2004200420.0low000100
ibutilide
1
benzenes;
organic amino compound		2004200420.0low000100
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2012201212.0low000010
paroxetine hydrochloride
1
hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		2012201212.0low000010
verapamil hydrochloride
1
2012201212.0low000010
fenclofenac
1
aromatic ether2012201212.0low000010
proxicromil
1
2012201212.0low000010
torbafylline
1
2012201212.0low000010
terikalant
1
piperidines2004200420.0low000100
sertraline
1
dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor		2012201212.0low000010
enrofloxacin
1
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		2012201212.0low000010
uk 68798
2
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		2004201216.0low000110
mepindolol
1
indoles2012201212.0low000010
fpl 52791
1
2012201212.0medium000010
epanolol
1
acetamides2012201212.0low000010
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		2012201212.0low000010
dauricine
1
aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite2004200420.0low000100
atovaquone
1
hydroxy-1,2-naphthoquinone2005200519.0low000100
rosiglitazone
1
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		2012201212.0low000010
clarithromycin
1
macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic		2004200420.0low000100
nicotine
1
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		2012201212.0low000010
levcromakalim
1
1-benzopyran2012201212.0low000010
hexylcaine hydrochloride
1
2012201212.0low000010
imipenem, anhydrous
1
beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug2012201212.0low000010
sn 38
1
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		2005200519.0low000100
sr141716
1
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		2012201212.0low000010
bosentan anhydrous
1
primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist		2012201212.0low000010
fpl 55712
1
aromatic ketone2012201212.0low000010
sivelestat
1
N-acylglycine;
pivalate ester		2012201212.0low000010
5-hydroxypropafenone
1
phenols2004200420.0low000100
norbuprenorphine
1
phenanthrenes2005200519.0low000100
ezogabine
1
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator		2005200519.0low000100
fpl-52694
1
2012201212.0low000010
ramatroban
1
organic molecular entity2012201212.0low000010
methotrexate
1
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		2012201212.0low000010
n-depropylpropafenone
1
2004200420.0low000100
xaliproden
1
(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine		serotonergic agonist2012201212.0low000010
n-isobutyrylcysteine
1
2012201212.0low000010
dexpanthenol
1
amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin		2012201212.0low000010
quilostigmine
1
pyrroloindole2012201212.0medium000010
imiloxan
1
benzodioxine2012201212.0low000010
aspartame
1
carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic		2012201212.0low000010
tempol
1
aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger		2012201212.0low000010
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		2012201212.0low000010
ezetimibe
1
azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite		2005200519.0low000100
vatalanib
1
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2012201212.0low000010
moxifloxacin
1
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug2012201212.0low000010
clevidipine
1
dihydropyridine2012201212.0low000010
hyoscyamine
1
tropane alkaloid2012201212.0low000010
naproxen
2
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		2005201215.5low000110
lactitol
1
glycosyl alditolcathartic;
excipient;
laxative		2012201212.0low000010
fpl 52757
1
2012201212.0medium000010
1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane
1
2004200420.0low000100
paromomycin
1
amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		2012201212.0low000010
fpl 59257
1
2012201212.0high000010
atropine
1
2012201212.0low000010
ly 97241
1
2004200420.0low000100
ropivacaine
1
piperidinecarboxamide;
ropivacaine		local anaesthetic2012201212.0low000010
erlotinib
1
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		2012201212.0low000010
zeneca zd 6169
1
2012201212.0low000010
sibenadet
1
2012201212.0low000010
latrepirdine
1
methylpyridines;
pyridoindole		geroprotector2012201212.0low000010
dronedarone
1
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic		2004200420.0low000100
ramelteon
1
indanes2012201212.0low000010
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2012201212.0low000010
bms204352
1
2005200519.0low000100
sorafenib
1
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		2012201212.0low000010
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2012201212.0low000010
epinastine
1
corticosteroid hormone2008200816.0low000100
5 alpha-androstane-3 beta,17 beta-diol
1
17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol		Daphnia magna metabolite;
human metabolite		2005200519.0low000100
phenethicillin
1
penicillin allergen;
penicillin		2012201212.0low000010
ouabain
1
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		2012201212.0low000010
salicin
1
aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2012201212.0low000010
griseofulvin
1
1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite		2008200816.0low000100
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2012201212.0low000010
linezolid
1
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		2012201212.0low000010
(S)-bicalutamide
1
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide2012201212.0medium000010
devazepide
1
1,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug		2012201212.0low000010
halcinonide
1
organic molecular entitySMO receptor agonist2012201212.0low000010
metrizamide
1
amino sugar2012201212.0low000010
tretinoin
1
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		2012201212.0low000010
tacrolimus
1
macrolide lactambacterial metabolite;
immunosuppressive agent		2005200519.0low000100
cocaine
1
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		2008200816.0low000100
mycophenolic acid
1
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		2005200519.0low000100
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		2012201212.0low000010
chlorprothixene
1
chlorprothixene2012201212.0low000010
etomidate
1
ethyl ester;
imidazoles		intravenous anaesthetic;
sedative		2012201212.0low000010
methylthiouracil
1
pyrimidone2012201212.0low000010
crotamiton
1
2012201212.0low000010
flunarizine
1
diarylmethane2012201212.0low000010
thiothixene
1
N-methylpiperazineanticoronaviral agent2012201212.0low000010
benztropine
1
diarylmethane2012201212.0low000010
methimazole
1
1,3-dihydroimidazole-2-thionesantithyroid drug2012201212.0low000010
sulindac
1
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		2012201212.0low000010
capsaicin
1
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2012201212.0low000010
digoxin
1
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		2012201212.0low000010
tamoxifen
2
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2005201215.5low000110
ethionamide
1
pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug		2012201212.0low000010
scopolamine
1
3-hydroxy carboxylic acid2012201212.0high000010
ranitidine
1
C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic		2012201212.0low000010
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2012201212.0low000010
alpha-hydroxytamoxifen
1
stilbenoid2005200519.0low000100
vx-745
1
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2012201212.0low000010
deracoxib
1
organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2012201212.0low000010
dasatinib
1
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2012201212.0low000010
2-aminohippuric acid
1
N-acylglycine2012201212.0medium000010
benzyltetrahydropalmatine
1
2004200420.0low000100
rs-130830
1
2012201212.0low000010
sitagliptin
1
triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic		2012201212.0low000010
tolcapone
2
2-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		2005201215.5low000110
dinoprostone
2
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		2008201214.0low000110
vitamin k semiquinone radical
1
2012201212.0low000010
beta carotene
1
carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A		2012201212.0low000010
alprostadil
1
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		2008200816.0low000100
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		2005200519.0low000100
pheniramine maleate
1
organic molecular entity2012201212.0low000010
triprolidine
1
N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist2012201212.0low000010
homatropine
1
tropane alkaloid2012201212.0medium000010
codeine
1
morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic		2005200519.0low000100
cyclosporine
2
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2005201215.5low000110
levetiracetam
1
pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic		2012201212.0low000010
nalorphine
1
morphinane alkaloid2005200519.0low000100
naloxone
2
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2005201215.5low000110
sirolimus
1
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2012201212.0low000010
topiramate
1
cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker		2012201212.0low000010
alvocidib
1
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2005200519.0low000100
morphine
1
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		2005200519.0low000100
ar c67085mx
1
2012201212.0low000010
desoximetasone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		2012201212.0low000010
l 365260
1
benzodiazepine2004200420.0low000100
sb 223412
1
2012201212.0low000010
su 11248
1
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		2012201212.0low000010
naltrexone
2
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic		2005201215.5low000110
morphine-6-glucuronide
1
morphinane alkaloid2005200519.0low000100
cefixime
1
cephalosporinantibacterial drug;
drug allergen		2012201212.0low000010
zimeldine
1
styrenes2012201212.0low000010
enalaprilat anhydrous
1
dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2012201212.0low000010
morphine-3-glucuronide
1
morphinane alkaloid2005200519.0low000100
tiotropium
1
2012201212.0low000010
guanabenz
1
dichlorobenzene2012201212.0low000010
nw 1029
1
2012201212.0low000010
lumefantrine
1
fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial2004200420.0low000100
ici d1542
1
2012201212.0high000010
gavestinel
1
2012201212.0medium000010
1-methyl-d-lysergic acid butanolamide
1
ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent		2012201212.0low000010
nitrofurantoin
1
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent		2012201212.0low000010
dantrolene
1
2012201212.0low000010
tipredane
1
3-hydroxy steroidandrogen2012201212.0low000010
bentiromide
1
dipeptidediagnostic agent;
indicator;
reagent		2012201212.0low000010
azimilide
1
imidazolidine-2,4-dione2004200420.0low000100
gemifloxacin
1
1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor		2012201212.0low000010
utibapril
1
2012201212.0high000010
zd 9379
1
2012201212.0medium000010
ly 450139
1
peptide2012201212.0low000010
cangrelor
1
adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor		2012201212.0low000010
sch 527123
1
2012201212.0low000010
hmr 1556
1
2004200420.0low000100
linaprazan
1
2012201212.0low000010
5-hydroxyrofecoxib
1
2005200519.0medium000100
lecozotan
1
2012201212.0medium000010
ar c155858
1
2012201212.0low000010
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
1
methoxybenzenes;
substituted aniline		2012201212.0low000010
scopolamine hydrobromide
1
2012201212.0low000010
azd 7545
1
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent		2012201212.0low000010
clavulanate potassium
1
potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor		2012201212.0medium000010
cytomel
1
organic sodium salt2012201212.0medium000010
a 967079
1
2012201212.0low000010
pht 427
1
2012201212.0low000010
dicumarol
1
hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist		2012201212.0low000010
piroxicam
1
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2008200816.0low000100
warfarin
1
benzenes;
hydroxycoumarin;
methyl ketone		2012201212.0low000010
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2012201212.0low000010
folic acid
1
folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient		2012201212.0low000010
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		2012201212.0low000010
dacarbazine
1
dacarbazine2012201212.0low000010
sildenafil
1
piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2012201212.0low000010
olanzapine
3
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor		2005201215.7low000210
leucovorin
1
formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite		2012201212.0low000010
carbadox
1
quinoxaline derivative2012201212.0low000010
fenobam
1
ureas2012201212.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
carbamates
1
amino-acid anion1993199331.0low001000
inositol
1
cyclitol;
hexol		1998199826.0low001000
nickel
1
metal allergen;
nickel group element atom		epitope;
micronutrient		1997199727.0low001000
gallopamil
1
benzenes;
organic amino compound		2005200519.0low000100
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		1999199925.0low001000
amiodarone
3
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug1995200225.3low002100
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		1996199628.0low001000
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		1995199529.0low001000
cisapride
1
benzamides2013201311.0low000010
e 4031
3
sulfonamide1992199431.0low003000
flecainide
1
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug1995199529.0low001000
halothane
1
haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic2002200222.0low000100
lidocaine
3
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		1993199629.3low003000
iohexol
1
benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		1995199529.0low001000
isoproterenol
3
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		1995200325.7low002100
metoprolol
1
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		2014201410.0low000010
nisoldipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester		1996199628.0low002000
pentobarbital
1
barbituratesGABAA receptor agonist2002200222.0low000100
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		1995199529.0low001000
sotalol
7
ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic		1992200228.6low006100
krypton
1
monoatomic krypton;
noble gas atom;
p-block element atom		2001200123.0low000100
phenylephrine
2
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		1998200224.0low001100
methoxamine
2
amphetaminesalpha-adrenergic agonist;
antihypotensive agent		1993199530.0low002000
azomycin
1
C-nitro compound;
imidazoles		antitubercular agent2003200321.0low000100
erythromycin
1
cyclic ketone;
erythromycin		2001200123.0low000100
pimonidazole
1
2003200321.0low000100
ibutilide
1
benzenes;
organic amino compound		2001200123.0low000100
resorantel
1
2003200321.0medium000100
tedisamil
1
1994199430.0low001000
uk 68798
7
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		1993201324.4low005110
293b cpd
1
1-benzopyran2003200321.0low000100
dronedarone
1
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic		1999199925.0low001000
quinidine
3
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		1992200228.7low002100
ryanodine
2
1995199628.5low002000
flunarizine
2
diarylmethane1995199628.5low002000
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		2014201410.0low000010
barium
1
alkaline earth metal atom;
elemental barium		2005200519.0low000100
ximelagatran
1
amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor		2014201410.0low000010
hmr 1556
1
2003200321.0low000100
cellulose
1
glycoside1993199331.0low001000
piperidines
3
1992199431.0low003000
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
A-V Dissociation0
3
1998200422.7low001200
Abnormalities, Drug-Induced0
4
1996200324.0low002200
Acute Disease0
1
1992199232.0low001000
Acute Liver Injury, Drug-Induced0
1
2012201212.0low000010
Anesthesia0
3
1993199927.3low003000
Anomalous Ventricular Excitation Syndrome0
2
1995199628.5low102000
Anoxemia0
1
2001200123.0low000100
Anoxia, Fetal0
1
2003200321.0low000100
Anterior Fascicular Block0
1
1997199727.0low101000
Arrhythmia0
7
1996200324.6low004300
Arrhythmias, Cardiac0
7
1996200324.6low004300
Atrial Fibrillation0
4
1998200224.2low103100
Atrial Flutter0
1
1998199826.0low001000
Atrioventricular Nodal Re-Entrant Tachycardia0
2
1996200225.0low001100
Atrioventricular Nodal Reentrant Tachycardia0
2
1995199728.0low202000
Auricular Fibrillation0
4
1998200224.2low103100
Auricular Flutter0
1
1998199826.0low001000
Body Weight0
1
1998199826.0low001000
Cardiac Complex, Premature0
2
1992199630.0low102000
Cardiac Hypertrophy0
1
2004200420.0low000100
Cardiomegaly0
1
2004200420.0low000100
Cardiovascular Stroke0
2
1992199630.0low102000
Chemical and Drug Induced Liver Injury0
1
2012201212.0low000010
Chronic Disease0
1
1998199826.0low001000
Chronic Illness0
1
1998199826.0low001000
Cleft Palate0
1
1996199628.0low001000
Cleft Palate, Isolated0
1
1996199628.0low001000
Congenital Limb Deformities0
1
1996199628.0low001000
Disease Models, Animal0
4
1995199827.8low004000
Electrocardiogram QT Prolonged0
3
1993201322.7low002010
Fetal Death0
2
1994200126.5low001100
Fetal Hypoxia0
1
2003200321.0low000100
Heart Disease, Ischemic0
2
1992199630.0low002000
Hypertrophy, Left Ventricular0
1
1998199826.0low001000
Hypertrophy, Right Ventricular0
1
1998199826.0low001000
Hypoxia0
1
2001200123.0low000100
Injury, Myocardial Reperfusion0
2
1996199827.0low002000
Left Ventricular Hypertrophy0
1
1998199826.0low001000
Long QT Syndrome0
3
1993201322.7low002010
Myocardial Infarction0
2
1992199630.0low102000
Myocardial Ischemia0
2
1992199630.0low002000
Pregnancy0
5
1994200325.2low003200
Sensitivity and Specificity0
1
1992199232.0low001000
Tachycardia, Supraventricular0
1
1997199727.0low101000
Tachycardia, Ventricular0
2
1996200225.0low001100
Torsade de Pointes0
19
1993201325.6medium1014410
Ventricular Fibrillation0
1
1995199529.0low001000
Weight Gain0
1
2000200024.0low001000
Wolff-Parkinson-White Syndrome0
2
1995199628.5low102000

Safety/Toxicity (3)

ArticleYear
High-throughput screening of drug-binding dynamics to HERG improves early drug safety assessment.
American journal of physiology. Heart and circulatory physiology, , Jan-01, Volume: 304, Issue:1		2013
Developmental toxicity of the class III antiarrhythmic agent almokalant in mice. Adverse effects mediated via induction of embryonic heart rhythm abnormalities.
Arzneimittel-Forschung, , Volume: 50, Issue:6		2000
Induction of rhythm abnormalities in the fetal rat heart. A tentative mechanism for the embryotoxic effect of the class III antiarrhythmic agent almokalant.
Cardiovascular research, , Volume: 28, Issue:3		1994

Pharmacokinetics (2)

ArticleYear
An assessment of human liver-derived in vitro systems to predict the in vivo metabolism and clearance of almokalant.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 29, Issue:5		2001
Electropharmacologic effects and pharmacokinetics of almokalant, a new class III antiarrhythmic, in patients with healed or healing myocardial infarcts and complex ventricular arrhythmias.
The American journal of cardiology, , Oct-15, Volume: 70, Issue:11		1992

Dosage (4)

ArticleYear
Teratogenicity by the hERG potassium channel blocking drug almokalant: use of hypoxia marker gives evidence for a hypoxia-related mechanism mediated via embryonic arrhythmia.
Toxicology and applied pharmacology, , Dec-01, Volume: 193, Issue:2		2003
Stage-specific skeletal and visceral defects of the I(Kr)-blocker almokalant: further evidence for teratogenicity via a hypoxia-related mechanism.
Teratology, , Volume: 64, Issue:6		2001
Teratogenic potential of almokalant, dofetilide, and d-sotalol: drugs with potassium channel blocking activity.
Teratology, , Volume: 53, Issue:3		1996
Tolerance and effects of almokalant, a new selective Ik blocking agent, on ventricular repolarization and on sino-atrial and atrioventricular nodal function in the heart: a study in healthy, male volunteers utilizing transesophageal atrial stimulation.
Journal of cardiovascular pharmacology, , Volume: 25, Issue:5		1995

Interactions (1)

ArticleYear
UDP-glucuronosyltransferases and clinical drug-drug interactions.
Pharmacology & therapeutics, , Volume: 106, Issue:1		2005