Compounds > muzolimine
Page last updated: 2024-09-22

muzolimine

Description

Muzolimine: A pyrazole diuretic with long duration and high capacity of action. It was proposed for kidney failure and hypertension but was withdrawn worldwide because of severe neurological effects. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID41386
CHEMBL ID1697760
CHEBI ID135124
SCHEMBL ID123392
MeSH IDM0014278

Synonyms (48)

Synonym
3-amino-1-(3,4-dichloro-alpha-methylbenzyl)-2-pyrazolin-5-one
5-amino-2-(1-(3,4-dichlorophenyl)-ethyl)-2,4-dihydro-3h-pyrazol-3-one
3-amino-1-(3,4-dichloro-alpha-methylbenzyl)-4,5-dihydro-5-pyrazolon
brn 0660881
muzolimina [inn-spanish]
einecs 259-573-2
bay g 2821
muzolimina [spanish]
3h-pyrazol-3-one, 2,4-dihydro-5-amino-2-(1-(3,4-dichlorophenyl)ethyl)-
edrul
3h-pyrazol-3-one, 5-amino-2-(1-(3,4-dichlorophenyl)ethyl)-2,4-dihydro-
muzoliminum [inn-latin]
muzolimine (usan/inn)
D05093
55294-15-0
bay-g-2821
muzolimine
CHEBI:135124
5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-4h-pyrazol-3-one
CHEMBL1697760
bay-g 2821
muzoliminum
unii-07z36289zx
muzolimina
muzolimine [usan:inn:ban]
07z36289zx ,
SCHEMBL123392
muzolimine [usan]
muzolimine [mi]
muzolimine [who-dd]
3-amino-1-(3,4-dichloro-a-methylbenzyl)-2-pyrazolin-5-one
muzolimine [inn]
muzolimine [mart.]
RLWRMIYXDPXIEX-UHFFFAOYSA-N
3-amino-1-(1-(3,4-dichlorophenyl)ethyl)-1h-pyrazol-5(4h)-one
AKOS028110654
3h-pyrazol-3-one, 5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-
5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-3h-pyrazol-3-one
DTXSID50866476
Q3868794
FT-0759718
DB13801
bay-g 2821; edrul
3-amino-1-[1-(3,4-dichlorophenyl)ethyl]-4,5-dihydro-1h-pyrazol-5-one
EN300-18568082
CS-0026158
HY-106616
5-amino-2-(1-(3,4-dichlorophenyl)ethyl)-2,4-dihydro-3h-pyrazol-3-one

Research Excerpts

Overview

ExcerptReference
"Muzolimine is a loop diuretic with an original chemical structure devoid of the acidic or sulfonamide group known to be necessary for an interaction with Na+K+Cl- cotransport. "( Barthelmebs, M; Grima, M; Imbs, JL; Michel, B; Stephan, D, 1991)
"Muzolimine is a diuretic which has been proposed in the treatment of hypertension. "( Barthelmebs, M; Grima, M; Imbs, JL; Michel, B, 1990)
"Muzolimine is a new diuretic which acts on the ascending limb of the loop of Henle and on the distal tubule."( Fillastre, JP; Morin, JP; Olier, B; Toutain, H, 1987)
"Muzolimine appears to be an effective and safe antihypertensive agent."( Clementy, J; Wicker, P, 1986)
"Muzolimine is a diuretic with chemical features different from all other known diuretics, and its use seem to be particularly interesting in patients with chronic renal failure. "( Colla, L; Dogliani, M; Squiccimarro, G; Stratta, P; Vercellone, A, 1985)

Actions

ExcerptReference
"Muzolimine: 1) increase PRA (11.8 +/- 1.06 vs. "( Antonello, A; Bardini, R; Borsatti, A; Calò, L; Cantaro, S; Piccoli, A; Vianello, A, 1985)
"Muzolimine 20 mg did not increase mean 24 h urinary Na+ output significantly with respect to placebo."( Leary, WP; Reyes, AJ; van der Byl, K, 1985)

Treatment

ExcerptReference
"Muzolimine pretreatment of rats for 2 months did not influence the elastin content of arterial tissue or [3H]glycine incorporation into aortic elastin under organ culture conditions, but after labelling the elastin with [4,5-3H]lysine, the [3H]desmosine and [3H]-isodesmosine isolated from the elastin of muzolimine-pretreated rats and incorporated under organ culture conditions was lower than that of control animals."( Buddecke, E; Busse, WD; Garthoff, B; Gau, W; Ritter, W; Schmidt, A; Wünsche, C, 1984)
"Treatment with muzolimine by food (in a concentration of 800 ppm for four days) and additional oral gavage one hour prior to ischemia prevented the sequelae of ischemia to a great extent."( Garthoff, B, 1985)

Drug Classes (1)

ClassDescription
dichlorobenzeneAny member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Bioassays (3)

Assay IDTitleYearJournalArticle
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (86)

TimeframeStudies, This Drug (%)All Drugs %
pre-199075 (87.21)18.7374
1990's10 (11.63)18.2507
2000's0 (0.00)29.6817
2010's1 (1.16)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials25 (27.78%)5.53%
Reviews2 (2.22%)6.00%
Case Studies4 (4.44%)4.05%
Observational0 (0.00%)0.25%
Other59 (65.56%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
acetic acid[no description available]medium10monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetamide[no description available]medium10acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
adenine[no description available]medium106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoin[no description available]medium10imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
quinacrine[no description available]medium10acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine[no description available]medium10amino-acid betaine;
glycine derivative		fundamental metabolite
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
citric acid, anhydrous[no description available]medium10tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
lactic acid[no description available]medium102-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
dimethyl sulfoxide[no description available]medium10sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine[no description available]medium10alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol[no description available]medium10alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
hydroquinone[no description available]medium10benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
inositol[no description available]medium10cyclitol;
hexol
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
phenol[no description available]medium10phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenylacetic acid[no description available]medium10benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxal phosphate[no description available]medium10methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uracil[no description available]medium10pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
urea[no description available]medium30isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
urea[no description available]medium31isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
catechin[no description available]medium10hydroxyflavan
menthol[no description available]medium10p-menthane monoterpenoid;
secondary alcohol		volatile oil component
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium30aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acebutolol[no description available]medium31aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium10acetamides;
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
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alfuzosin[no description available]medium10monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxol[no description available]medium10aromatic amine
aminoglutethimide[no description available]medium10dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
pimagedine[no description available]medium10guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline[no description available]medium20dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium101-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium10carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amobarbital[no description available]medium10barbiturates
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anethole trithione[no description available]medium10methoxybenzenes
anthralin[no description available]medium10anthracenesantipsoriatic
aspirin[no description available]medium20benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
barbital[no description available]medium10barbituratesdrug allergen
bendazac[no description available]medium10indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromisovalum[no description available]medium10N-acylurea;
organobromine compound
brotizolam[no description available]medium10organic molecular entity
bumetanide[no description available]medium30amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
buspirone[no description available]medium10azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butalbital[no description available]medium10barbituratesanalgesic;
sedative
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan cilexetil[no description available]medium10biphenyls
carbamazepine[no description available]medium10dibenzoazepine;
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
carisoprodol[no description available]medium10carbamate estermuscle relaxant
carmustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
carvedilol[no description available]medium10carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium10ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chloral hydrate[no description available]medium10aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide[no description available]medium10benzodiazepine
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cimetidine[no description available]medium10aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
ciprofloxacin[no description available]medium10aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride[no description available]medium10benzamides
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
clonidine[no description available]medium20clonidine;
imidazoline
clotiazepam[no description available]medium10organic molecular entity
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cyclandelate[no description available]medium10carboxylic ester;
secondary alcohol		vasodilator agent
cyproheptadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferoxamine[no description available]medium10acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
amphetamine[no description available]medium10primary amine
eflornithine[no description available]medium10alpha-amino acid;
fluoroamino acid		trypanocidal drug
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
diclofenac[no description available]medium10amino 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
ddt[no description available]medium10benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium10organic 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
valproic acid[no description available]medium10branched-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
doxepin[no description available]medium10dibenzooxepine;
tertiary amino compound		antidepressant
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
econazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
enflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		anaesthetic
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
estazolam[no description available]medium10triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
ethacrynic acid[no description available]high20aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flunitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
fomepizole[no description available]medium10pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
furosemide[no description available]medium240chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
furosemide[no description available]medium244chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glafenine[no description available]medium10aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glutethimide[no description available]medium10piperidines
glyburide[no description available]medium10monochlorobenzenes;
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
gossypol[no description available]medium10
guaiazulene[no description available]medium10sesquiterpene
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hexestrol[no description available]medium10stilbenoid
hexetidine[no description available]medium10organic heteromonocyclic compound;
organonitrogen heterocyclic compound
hexobarbital[no description available]medium10barbiturates
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium70benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydrochlorothiazide[no description available]medium73benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
alverine[no description available]medium10tertiary amineantispasmodic drug
idebenone[no description available]medium101,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium30indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indapamide[no description available]medium31indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium20aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iohexol[no description available]medium10benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iodipamide[no description available]medium10benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
iproniazid[no description available]medium10carbohydrazide;
pyridines
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
2-propanol[no description available]medium10secondary alcohol;
secondary fatty alcohol		protic solvent
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoxsuprine[no description available]medium10alkylbenzene
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium10piperazines
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium10aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
labetalol[no description available]medium10benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
malathion[no description available]medium10diester;
ethyl ester;
organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate[no description available]medium10isopropyl ester
mazindol[no description available]medium10organic molecular entity
mebendazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclizine[no description available]medium10diarylmethane
meclofenoxate[no description available]medium10monocarboxylic acid
mefenamic acid[no description available]medium10aminobenzoic 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
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium10benzenes;
diarylmethane;
ketone;
tertiary amino compound
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxyflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
methyprylon[no description available]medium10organic molecular entity
metoclopramide[no description available]medium10benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
midazolam[no description available]medium10imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium10benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil[no description available]medium10monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium10monoterpenoid
deet[no description available]medium10benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone[no description available]medium10aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
niceritrol[no description available]medium10organic molecular entity
nifedipine[no description available]medium50C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nifedipine[no description available]medium51C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium40C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitrendipine[no description available]medium41C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitroglycerin[no description available]medium10nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
masoprocol[no description available]medium10catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium10carbazoles
orphenadrine[no description available]medium10ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxethazaine[no description available]medium10amino acid amide
oxprenolol[no description available]medium10aromatic ether
oxybenzone[no description available]medium10hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
oxyphenbutazone[no description available]medium10phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pemoline[no description available]medium101,3-oxazolescentral nervous system stimulant
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium10oxopurine
perazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium10phenols
phenoxybenzamine[no description available]medium10aromatic amine
phenylbutazone[no description available]medium10pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
pinacidil[no description available]medium10pyridines
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piperazine[no description available]medium10azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent		anthelminthic drug
praziquantel[no description available]medium10isoquinolines
prazosin[no description available]medium10aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium40benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridinolcarbamate[no description available]medium10pyridines
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine[no description available]medium10aralkylamine
opc 12759[no description available]medium10secondary carboxamide
riluzole[no description available]medium10benzothiazoles
risperidone[no description available]medium101,2-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
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sevoflurane[no description available]medium10ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sibutramine[no description available]medium10organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
sulfadiazine[no description available]medium10pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sotalol[no description available]medium10ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
4-phenylbutyric acid, sodium salt[no description available]medium10organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
vorinostat[no description available]medium10dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfameter[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
leprostatic drug;
renal agent
sulfamethazine[no description available]medium10pyrimidines;
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
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]medium10isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole[no description available]medium10primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine[no description available]medium10pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfasalazine[no description available]medium10
sulfinpyrazone[no description available]medium10pyrazolidines;
sulfoxide		uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacin[no description available]medium10N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur[no description available]medium10organohalogen compound;
pyrimidines
temazepam[no description available]medium10benzodiazepine
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
terfenadine[no description available]medium10diarylmethane
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thalidomide[no description available]medium10phthalimides;
piperidones
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tiaprofenic acid[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium10benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolperisone[no description available]medium10aromatic ketone
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium10monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
venlafaxine[no description available]medium10cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vesnarinone[no description available]medium10organic molecular entity
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219[no description available]medium10carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium10imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
guanidine hydrochloride[no description available]medium10one-carbon compound;
organic chloride salt		protein denaturant
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate[no description available]medium10corticosteroid hormone
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]medium1011beta-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
estriol[no description available]medium1016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
cephaloridine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
piperonyl butoxide[no description available]medium10benzodioxolespesticide synergist
bromouracil[no description available]medium10nucleobase analogue;
pyrimidines		mutagen
3,3',5-triiodothyroacetic acid[no description available]medium10
histamine dihydrochloride[no description available]medium10
thyroxine[no description available]medium102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine[no description available]medium101-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
spironolactone[no description available]medium203-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cyclobarbital[no description available]medium10barbiturates
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
prednisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
oxandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
dehydroepiandrosterone[no description available]medium1017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
nad[no description available]medium10NADgeroprotector
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
glutamine[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sucrose[no description available]medium10glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
testosterone propionate[no description available]medium10steroid ester
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrine[no description available]medium10pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
methyltestosterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium10benzoquinolizine;
cyclic ketone;
tertiary amino compound
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
uridine[no description available]medium10uridinesdrug metabolite;
fundamental metabolite;
human metabolite
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
levodopa[no description available]medium10amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
carbaryl[no description available]medium10carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
lactose[no description available]medium10lactose
methionine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
Mebutamate[no description available]medium10organic molecular entity
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
norethindrone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
norethynodrel[no description available]medium10oxo steroid
benziodarone[no description available]medium10aromatic ketone
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium20mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
medroxyprogesterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
methaqualone[no description available]medium10quinazolinesGABA agonist;
sedative
trypan blue[no description available]medium10
cordycepin[no description available]medium103'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
tryptophan[no description available]medium10erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
arginine[no description available]medium10arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
trichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
allylpropymal[no description available]medium10barbiturates
butobarbital[no description available]medium10barbiturates
trichloroethylene[no description available]medium10chloroethenesinhalation anaesthetic;
mouse metabolite
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
methylprednisolone[no description available]medium106-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
benzoyl peroxide[no description available]medium10carbonyl compound
furan[no description available]medium10furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
neostigmine bromide[no description available]medium10bromide salt
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
mephobarbital[no description available]medium10barbituratesanticonvulsant
hexachlorobenzene[no description available]medium10aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
trinitrotoluene[no description available]medium10trinitrotolueneexplosive
framycetin[no description available]medium10aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
pyrazolanthrone[no description available]medium10anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
meglumine[no description available]medium10hexosamine;
secondary amino compound
cinchophen[no description available]medium10quinolines
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
mequinol[no description available]medium10methoxybenzenes;
phenols		metabolite
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
dydrogesterone[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid		progestin
ephedrine[no description available]medium10phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
2,3-dimercaptosuccinic acid[no description available]medium10
evans blue[no description available]medium10organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
testosterone enanthate[no description available]medium10heptanoate ester;
sterol ester		androgen
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
phenyramidol[no description available]medium10aminopyridine
carbutamide[no description available]medium10benzenes;
sulfonamide
nandrolone decanoate[no description available]medium10steroid ester
bucladesine[no description available]medium103',5'-cyclic purine nucleotide;
butanamides;
butyrate ester		agonist;
cardiotonic drug;
vasodilator agent
betamethasone[no description available]medium1011beta-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
perflubron[no description available]medium10haloalkane;
organobromine compound;
perfluorinated compound		blood substitute;
radioopaque medium
cyproterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dihydralazine[no description available]medium10phthalazines
phenylpropanolamine[no description available]medium10amphetamines;
phenethylamine alkaloid		plant metabolite
dihydroergotamine[no description available]medium10ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium10amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
gentian violet[no description available]medium10organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
hematoporphyrin[no description available]medium10
lactulose[no description available]medium10glycosylfructosegastrointestinal drug;
laxative
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin stearate[no description available]medium10aminoglycoside
erythromycin[no description available]medium10cyclic ketone;
erythromycin
vinblastine[no description available]medium10
estradiol valerate[no description available]medium10steroid ester
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
amiloride[no description available]medium30aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
amiloride[no description available]medium32aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
iproclozide[no description available]medium10aromatic ether
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin disodium[no description available]medium10organic sodium salt
dehydroemetine[no description available]medium10aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
benorilate[no description available]medium10carbonyl compound
trimetazidine[no description available]medium10aromatic amine
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
tiadenol[no description available]medium10aliphatic sulfide
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
stanozolol[no description available]medium1017beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen
clodronic acid[no description available]medium101,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
xipamide[no description available]medium40benzamides
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium106-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
thiamphenicol[no description available]medium20monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pizotyline[no description available]medium10benzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
carbimazole[no description available]medium101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium1011beta-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
oxyphenisatin[no description available]medium10indoles
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
butachlor[no description available]medium10aromatic amide;
organochlorine compound;
tertiary carboxamide		environmental contaminant;
herbicide;
xenobiotic
rose bengal b disodium salt[no description available]medium10
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium10timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
nicergoline[no description available]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
amineptin[no description available]medium10amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pirprofen[no description available]medium10pyrroline
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
ticrynafen[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725[no description available]medium10
diltiazem[no description available]medium105-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
benoxaprofen[no description available]medium101,3-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
permethrin[no description available]medium10cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
pirfenidone[no description available]medium10pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
desogestrel[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
epirubicin[no description available]medium10aminoglycoside;
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
desflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium30alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
captopril[no description available]medium32alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
moxalactam[no description available]medium10cephalosporin;
oxacephem		antibacterial drug
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
encainide[no description available]medium10benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
miglustat[no description available]medium10piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
enoximone[no description available]medium10aromatic ketone
piritrexim[no description available]medium10
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
gepirone[no description available]medium10N-arylpiperazine
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
sparfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
clopidogrel[no description available]medium10methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
bromfenac[no description available]medium10aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
atorvastatin[no description available]medium10aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
duloxetine[no description available]medium10duloxetine
irinotecan[no description available]medium10carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
capecitabine[no description available]medium10carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
halofuginone[no description available]medium10quinazolines
ortho-cept[no description available]medium10
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol[no description available]medium10stilbenoid
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
doxapram hydrochloride[no description available]medium10hydrochloridecentral nervous system stimulant
1,5-anhydroglucitol[no description available]medium10anhydro sugarhuman metabolite
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
glutathione disulfide[no description available]medium10glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
bendamustine[no description available]medium10benzimidazoles
erdosteine[no description available]medium10N-acyl-amino acid
mizolastine[no description available]medium10benzimidazoles
intoplicine[no description available]medium10pyridoindole
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
medetomidine[no description available]medium10imidazoles
sertraline[no description available]medium10dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
picosulfate sodium[no description available]medium10aryl sulfate;
pyridines
dienogest[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone		progesterone receptor agonist;
progestin;
synthetic oral contraceptive
morphazinamide[no description available]medium10morpholines;
pyrazines;
secondary carboxamide
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
cyclobutyrol[no description available]medium10hydroxy monocarboxylic acidbile therapy drug
terlipressin[no description available]medium10polypeptide
isoflavone[no description available]medium10isoflavones
clevudine[no description available]medium10
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium103-(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
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
selenomethionine[no description available]medium10amino acid zwitterion;
selenomethionine		plant metabolite
perindopril[no description available]medium10alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod[no description available]medium10aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
ecteinascidin 743[no description available]medium10acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
nitisinone[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
mitiglinide[no description available]medium10benzenes;
monocarboxylic acid
imatinib mesylate[no description available]medium10methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine[no description available]medium10adenosines;
monocarboxylic acid amide;
organoiodine compound		adenosine A3 receptor agonist
methotrexate[no description available]medium10dicarboxylic 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
antiprimod[no description available]medium10
sulbactam[no description available]medium10penicillanic acids
olmesartan medoxomil[no description available]medium10biphenyls
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
docetaxel[no description available]medium10hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
levofloxacin[no description available]medium109-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
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cariporide[no description available]medium10
tezosentan[no description available]medium10
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
jtt 501[no description available]medium10
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
avasimibe[no description available]medium10monoterpenoid
biotin[no description available]medium10biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
atropine[no description available]medium10
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium10benzodioxoles
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
benzarone[no description available]medium101-benzofurans
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol[no description available]medium10carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
nexavar[no description available]medium10organosulfonate salt
glucosamine[no description available]medium10D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium20cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
netilmicin[no description available]medium10
trimethaphan camsylate[no description available]medium10
erythromycin estolate[no description available]medium10aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
tolterodine[no description available]medium10tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochloride[no description available]medium10anthracycline
erythromycin ethylsuccinate[no description available]medium10cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
ao 128[no description available]medium10organic molecular entity
acarbose[no description available]medium10amino cyclitol;
glycoside
tretinoin[no description available]medium10retinoic 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
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate[no description available]medium10D-fructofuranose 1,6-bisphosphate
docosahexaenoate[no description available]medium10docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
oleic acid[no description available]medium10octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium10dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium10dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10benzoate 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
eicosapentaenoic acid[no description available]medium10icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
mycophenolic acid[no description available]medium102-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
clindamycin[no description available]medium10
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
drf 2725[no description available]medium10
diethylstilbestrol[no description available]medium10olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
decitabine[no description available]medium102'-deoxyribonucleoside
teniposide[no description available]medium10aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin[no description available]medium10actinomycinmutagen
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
melphalan[no description available]medium10L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
rubitecan[no description available]medium10C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium10flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium10one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
sodium acetate, anhydrous[no description available]medium10organic sodium saltNMR chemical shift reference compound
sodium benzoate[no description available]medium10organic sodium saltalgal 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
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
ditiocarb sodium[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium10
discodermolide[no description available]medium10diterpenoid
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
propylthiouracil[no description available]medium10pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
prothionamide[no description available]medium10pyridines
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
sulindac[no description available]medium10monocarboxylic 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
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
tacrine hydrochloride[no description available]medium10
sodium propionate[no description available]medium10organic sodium saltantifungal drug;
food preservative
digoxin[no description available]medium20cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin[no description available]medium10
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
fusidic acid[no description available]medium1011alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
estrone sulfate[no description available]medium1017-oxo steroid;
steroid sulfate		human metabolite;
mouse metabolite
hmr 3647[no description available]medium10
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
droloxifene[no description available]medium10stilbenoid
or 1259[no description available]medium10hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
gestodene[no description available]medium10steroidestrogen
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene[no description available]medium10stilbenoid
zd 6474[no description available]medium10aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
silybin[no description available]medium10
chloramine-t[no description available]medium10organic sodium saltallergen;
antifouling biocide;
disinfectant
flosequinan[no description available]medium10quinolines
tolcapone[no description available]medium102-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone[no description available]medium30prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
beta carotene[no description available]medium10carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
cholecalciferol[no description available]medium10D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort[no description available]medium1011beta-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
oxymetholone[no description available]medium10
montelukast[no description available]medium10aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine[no description available]medium10carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
cynarine[no description available]medium10alkyl caffeate ester;
quinic acid		plant metabolite
sdz psc 833[no description available]medium10homodetic cyclic peptide
coenzyme q10[no description available]medium10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
tranilast[no description available]medium10amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
misoprostol[no description available]medium10
ozagrel[no description available]medium10cinnamic acids
pitavastatin[no description available]medium10cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
alatrofloxacin mesylate[no description available]medium10
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
dothiepin[no description available]medium10dothiepin
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
nalorphine[no description available]medium10morphinane alkaloid
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxymorphone[no description available]medium10morphinane alkaloid
sirolimus[no description available]medium10antibiotic 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
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
alvocidib[no description available]medium10dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol[no description available]medium10
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
geldanamycin[no description available]medium101,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
demycarosylturimycin h[no description available]medium10
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
furazolidone[no description available]medium10
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
semaxinib[no description available]medium10olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantinib[no description available]medium10
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium106-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium10
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
sulindac sulfone[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran[no description available]medium10amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
epoprostenol sodium[no description available]medium10prostanoid
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
dantrolene sodium[no description available]medium10
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
beraprost[no description available]medium10enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
lanreotide[no description available]medium10
lu 208075[no description available]medium10diarylmethane
acetylcarnitine[no description available]medium10O-acetylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite;
Saccharomyces cerevisiae metabolite
nifurtoinol[no description available]medium10hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
fosinopril[no description available]medium10
eflucimibe[no description available]medium10
etomoxir[no description available]medium10aromatic ether
pentagastrin[no description available]medium10organic molecular entity
gentamicin sulfate[no description available]medium10
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
baci-im[no description available]medium10homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
pf 03491390[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
tannins[no description available]medium10tannin
mesna[no description available]medium10organosulfonic acid
cerivastatin sodium[no description available]medium10organic sodium salt;
statin (synthetic)
monensin[no description available]medium10
oxacillin sodium[no description available]medium10organic sodium salt
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium10
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
acenocoumarol[no description available]medium10C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium10benzenes;
hydroxycoumarin;
methyl ketone
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline[no description available]medium10
lornoxicam[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ajmaline[no description available]medium10
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
folic acid[no description available]medium10folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium10benzodiazepine;
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
dacarbazine[no description available]medium10dacarbazine
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
oxypurinol[no description available]medium10pyrazolopyrimidinedrug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed[no description available]medium10N-acyl-amino acid
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
alanosine[no description available]medium10
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
rifabutin[no description available]medium10
piperidines[no description available]medium10
bunamidine[no description available]medium10
ouabain[no description available]medium4011alpha-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
ozolinone[no description available]medium10
chlorine[no description available]medium90halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
thiazoles[no description available]medium101,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
guanabenz[no description available]medium10dichlorobenzene
carteolol[no description available]medium10quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
elastin[no description available]medium10oligopeptide
angiotensin ii[no description available]medium32amino acid zwitterion;
angiotensin II		human metabolite
piretanide[no description available]medium40aromatic ether
torsemide[no description available]medium30aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
barium[no description available]medium10alkaline earth metal atom;
elemental barium
cicletanine[no description available]medium10organochlorine compound
clopamide[no description available]medium20sulfonamide
progabide[no description available]medium10diarylmethane
thiamphenicol glycinate[no description available]medium10alpha-amino acid ester
pyridoxal[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
aldosterone[no description available]medium4111beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite
8-phenyltheophylline[no description available]medium10
bay-k-8644[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
lithium[no description available]medium10alkali metal atom
chlorine[no description available]medium10diatomic chlorine;
gas molecular entity		bleaching agent
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
acetylsalicylic acid lysinate[no description available]medium10
gentamicin[no description available]medium30
chlorthalidone[no description available]medium22isoindoles;
monochlorobenzenes;
sulfonamide
hydrogen carbonate[no description available]medium10carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
triamterene[no description available]medium11pteridinesdiuretic;
sodium channel blocker
uric acid[no description available]medium21uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
pyrazines[no description available]medium11diazine;
pyrazines		Daphnia magna metabolite
2,4-dichlorophenoxyacetic acid[no description available]low00chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
am 251[no description available]low00amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist
apraclonidine[no description available]low00dichlorobenzene;
guanidines;
imidazolines		alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug
bithionol[no description available]low00aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
clenbuterol[no description available]low00amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
dicamba[no description available]low00dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
dichlobanil[no description available]low00dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
dichlorphenamide[no description available]low00dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
diuron[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
fipronil[no description available]low00(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
liquid crystal polymer[no description available]low00conazole fungicide;
dichlorobenzene;
organobromine compound;
oxolanes;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
irsogladine[no description available]low00dichlorobenzene
isoconazole[no description available]low00dichlorobenzene;
ether;
imidazoles
lorglumide[no description available]low00benzamides;
dicarboxylic acid monoamide;
dichlorobenzene;
glutamic acid derivative
clorgyline[no description available]low00aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
4-dichlorobenzene[no description available]low00dichlorobenzeneinsecticide
methazole[no description available]low00dichlorobenzene
propanil[no description available]low00anilide;
dichlorobenzene		herbicide
sulconazole[no description available]low00dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
tioconazole[no description available]low00dichlorobenzene;
ether;
imidazoles;
thiophenes
2,6-dichlorobenzoic acid[no description available]low00chlorobenzoic acid;
dichlorobenzene		bacterial xenobiotic metabolite
2,5-dichlorobenzoic acid[no description available]low00chlorobenzoic acid;
dichlorobenzene
2,4-dichlorobenzoic acid[no description available]low00chlorobenzoic acid;
dichlorobenzene		bacterial metabolite
2-dichlorobenzene[no description available]low00dichlorobenzenehepatotoxic agent;
metabolite
2,4-dichlorotoluene[no description available]low00dichlorobenzene
dicloran[no description available]low00aromatic fungicide;
dichlorobenzene;
nitroaniline		antifungal agrochemical
triclocarban[no description available]low00dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
linuron[no description available]low00dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
chlorfenvinphos[no description available]low00dichlorobenzene;
organic phosphate;
organochlorine acaricide;
organochlorine insecticide;
organophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
1,3-dichlorobenzene[no description available]low00dichlorobenzene
2,6-dichloroindophenol[no description available]low00dichlorobenzene;
quinone imine
3,3',4',5-tetrachlorosalicylanilide[no description available]low00dichlorobenzene;
salicylanilides		drug allergen
dichlorobenzyl alcohol[no description available]low00benzyl alcohols;
dichlorobenzene		antiseptic drug
2,6-dichlorobenzamide[no description available]low00benzamides;
dichlorobenzene		herbicide;
marine xenobiotic metabolite
3,4-dichlorophenylurea[no description available]low00dichlorobenzene;
phenylureas		marine xenobiotic metabolite
2,4,2',4'-tetrachlorobiphenyl[no description available]low00dichlorobenzene;
tetrachlorobiphenyl
chloroneb[no description available]low00aromatic fungicide;
dichlorobenzene;
dimethoxybenzene		antifungal agrochemical
dicloxacillin[no description available]low00dichlorobenzene;
penicillin		antibacterial drug
clonidine hydrochloride[no description available]low00dichlorobenzene
lofexidine[no description available]low00aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent
leptophos[no description available]low00bromobenzenes;
dichlorobenzene;
organic phosphonate;
phosphonic ester
pronamide[no description available]low00benzamides;
dichlorobenzene;
terminal acetylenic compound		agrochemical;
herbicide
pcb 118[no description available]low00dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene
3,4,3',4'-tetrachlorobiphenyl[no description available]low00dichlorobenzene;
tetrachlorobiphenyl
2,3,3',4,4'-pentachlorobiphenyl[no description available]low00dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene
kc 400[no description available]low00dichlorobenzene;
tetrachlorobiphenyl
prothiophos[no description available]low00dichlorobenzene;
organic thiophosphate;
organosulfur compound		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
2,5-dichlorobiphenyl[no description available]low00dichlorobenzene;
dichlorobiphenyl
3,5-dichlorobiphenyl[no description available]low00dichlorobenzene;
dichlorobiphenyl
enilconazole[no description available]low00dichlorobenzene;
ether;
imidazoles
2,5,2',5'-tetrachlorobiphenyl[no description available]low00dichlorobenzene;
tetrachlorobiphenyl
2,3,3',4,4',5-hexachlorobiphenyl[no description available]low00dichlorobenzene;
hexachlorobiphenyl;
tetrachlorobenzene
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
vinclozolin[no description available]low00dicarboximide;
dichlorobenzene;
olefinic compound;
oxazolidinone
dichlorfop-methyl[no description available]low00aromatic ether;
dichlorobenzene;
diether;
methyl ester
azaconazole[no description available]low00conazole fungicide;
cyclic ketal;
dichlorobenzene;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
propiconazole[no description available]low00conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
butoconazole[no description available]low00aryl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
dichlozolinate[no description available]low00dicarboximide;
dichlorobenzene;
ethyl ester;
oxazolidinone
fenticonazole[no description available]low00aryl sulfide;
dichlorobenzene;
ether;
imidazoles
itraconazole[no description available]low00aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
aripiprazole[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
tobanum[no description available]low00dichlorobenzene
sertaconazole[no description available]low001-benzothiophenes;
dichlorobenzene;
ether;
imidazoles
hexaconazole[no description available]low00dichlorobenzene;
tertiary alcohol;
triazoles		chelator
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluphenacur[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound
guanoclor[no description available]low00dichlorobenzene
tridiphane[no description available]low00dichlorobenzene
tetraconazole[no description available]low00dichlorobenzene;
ether;
organofluorine compound;
triazoles
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide[no description available]low00dichlorobenzene;
organofluorine compound;
sulfonamide;
triazoles		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
fluquinconazole[no description available]low00conazole fungicide;
dichlorobenzene;
organofluorine compound;
quinazolines;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
tolclofos-methyl[no description available]low00dichlorobenzene;
organic thiophosphate		antifungal agrochemical
penconazole[no description available]low00dichlorobenzene;
triazoles
chlorfluazuron[no description available]low00benzoylurea insecticide;
dichlorobenzene;
organochlorine insecticide;
organofluorine insecticide
fenpiclonil[no description available]low00dichlorobenzene;
nitrile;
pyrroles		antifungal agrochemical
teflubenzuron[no description available]low00dichlorobenzene;
difluorobenzene;
N-acylurea		environmental contaminant;
insecticide;
xenobiotic
hexafluoron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol[no description available]low00dichlorobenzene;
hydroxybiphenyls
4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl[no description available]low00biphenyls;
dichlorobenzene;
sulfone
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
zoxamide[no description available]low00alpha-chloroketone;
benzamides;
dichlorobenzene
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone[no description available]low00dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone[no description available]low00dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule
cgp 52432[no description available]low00dichlorobenzene
spirodiclofen[no description available]low00dichlorobenzene;
gamma-lactone;
organochlorine acaricide;
oxaspiro compound
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide[no description available]low00anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols		antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor
2-(2,4-dichlorophenoxy)-N-(3-pyridinyl)acetamide[no description available]low00dichlorobenzene
3,5-dichlorotyrosine[no description available]low00chloroamino acid;
dichlorobenzene;
dihalogenated L-tyrosine;
non-proteinogenic L-alpha-amino acid
pd 173955[no description available]low00aryl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine		tyrosine kinase inhibitor
mln 4760[no description available]low00dichlorobenzene;
L-histidine derivative;
L-leucine derivative		anti-inflammatory agent;
EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor
olanexidine[no description available]low00dichlorobenzene
2-(2,4-dichlorophenoxy)-N-(2-furanylmethyl)acetamide[no description available]low00dichlorobenzene
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl ester[no description available]low00dichlorobenzene
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester[no description available]low00dichlorobenzene
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one[no description available]low00dichlorobenzene
3-[(2,6-dichlorophenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole[no description available]low00dichlorobenzene
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol[no description available]low00dichlorobenzene
N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester[no description available]low00dichlorobenzene
6-(2,4-dichlorophenyl)-1,5-diazabicyclo[3.1.0]hexane[no description available]low00dichlorobenzene
3-[(2,4-dichlorophenyl)methylthio]-1,2,4-thiadiazol-5-amine[no description available]low00dichlorobenzene
2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine[no description available]low00dichlorobenzene
5-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-2-furancarboxamide[no description available]low00dichlorobenzene
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea[no description available]low00dichlorobenzene
[4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone[no description available]low00dichlorobenzene
5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamide[no description available]low00dichlorobenzene
5-(2,5-dichlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide[no description available]low00dichlorobenzene
4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine[no description available]low00dichlorobenzene
3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone[no description available]low00dichlorobenzene
5-[3-[(2,4-dichlorophenyl)methoxy]-2-thiophenyl]-1,2-dihydro-1,2,4-triazole-3-thione[no description available]low00dichlorobenzene
2-(2,4-dichlorophenyl)-5-[2-(methylthio)phenyl]-1,3,4-oxadiazole[no description available]low00dichlorobenzene
4-[2-[(2,4-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine[no description available]low00dichlorobenzene
4-(2,4-dichlorophenoxy)-N-(3-pyridinyl)butanamide[no description available]low00dichlorobenzene
4-(2,4-dichlorophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester[no description available]low00dichlorobenzene
2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol[no description available]low00dichlorobenzene
2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamide[no description available]low00dichlorobenzene
4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinamine[no description available]low00dichlorobenzene
yoda 1[no description available]low00aromatic compound;
dichlorobenzene;
organic sulfide;
pyrazines;
thiadiazoles		glycine transporter 2 inhibitor;
piezo1 agonist
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione[no description available]low00dichlorobenzene
N-[amino(1-pyrrolidinyl)methylidene]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide[no description available]low00dichlorobenzene
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide[no description available]low00dichlorobenzene
nnd 502[no description available]low00dichlorobenzene
fenchlorazole-ethyl[no description available]low00dichlorobenzene
omoconazole[no description available]low00dichlorobenzene
u-50488[no description available]low00dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine		analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist
vx-745[no description available]low00aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
fipronil sulfone[no description available]low00(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone		marine xenobiotic metabolite
3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide[no description available]low00dichlorobenzene
3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitropyridine[no description available]low00dichlorobenzene
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamide[no description available]low00dichlorobenzene
(3,5-dichloroanilino)thiourea[no description available]low00dichlorobenzene
N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide[no description available]low00D-leucine derivative;
dichlorobenzene;
furoic acid;
glycine derivative;
guanidines;
pyrazolylpiperidine
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
oxiconazole[no description available]low00conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether		antiinfective agent
N-(3,4-dichlorophenyl)-6-(1-imidazolyl)-3-pyridazinamine[no description available]low00dichlorobenzene
diniconazole[no description available]low00dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles
chlorproguanil[no description available]low00dichlorobenzene
noviflumuron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound
chir 99021[no description available]low00aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
vilanterol[no description available]low00benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
gw 842166x[no description available]low00dichlorobenzene
pha 665752[no description available]low00dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor
tafamidis[no description available]low001,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug
fluopicolide[no description available]low00benzamide fungicide;
benzamides;
dichlorobenzene;
monochloropyridine;
organofluorine compound		antifungal agrochemical
gamendazole[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
dichlorobenzene;
indazoles;
olefinic compound;
organofluorine compound		antispermatogenic agent;
eukaryotic translation elongation factor 1alpha 1 inhibitor;
Hsp90 inhibitor;
synthetic oral contraceptive
at 7519[no description available]low00dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
s 1812[no description available]low00dichlorobenzene;
organochlorine insecticide;
organofluorine insecticide
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine[no description available]low00aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2-[(2,4-dichlorophenyl)methylthio]-1-methylimidazole[no description available]low00dichlorobenzene
avilamycin a[no description available]low00benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite
gsk 1016790a[no description available]low001-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide		TRPV4 agonist
poziotinib[no description available]low00acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
ixazomib[no description available]low00benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide[no description available]low00dichlorobenzene
aripiprazole lauroxil[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea[no description available]low00aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas		antineoplastic agent;
fibroblast growth factor receptor antagonist
chir 98014[no description available]low00aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
LimKi 3[no description available]low001,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor
2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-4-thiazolone[no description available]low00dichlorobenzene
ConditionIndicatedRelationship StrengthStudiesTrials
Acid-Base Imbalance0low10
Acidosis0low10
Acute Kidney Failure0low30
Acute Kidney Injury0low30
Acute Kidney Insufficiency0low30
Acute Liver Injury, Drug-Induced0low10
Acute Renal Failure0low30
Acute Renal Injury0low30
Acute Renal Insufficiency0low30
Amyotonia Congenita0low20
Anasarca0low60
Anesthesia0low10
Aortic Incompetence0low10
Aortic Regurgitation0low10
Aortic Valve Incompetence0low10
Aortic Valve Insufficiency0low10
Ascites0low10
Atrophy, Muscle0low10
Blood Pressure, High0medium209
Body Weight0medium144
Bright Disease0low10
Carcinoma, Ehrlich Tumor0low10
Cardiac Diseases0low10
Cardiac Disorders0low10
Cardiac Failure0medium114
Cardiovascular Stroke0medium11
Central Nervous System Disease0low10
Central Nervous System Diseases0low10
Central Nervous System Disorder0low10
Central Nervous System Disorders0low10
Centrala nervsystemets sjukdomar@sv0low10
Chemical and Drug Induced Liver Injury0low10
Chemically-Induced Liver Toxicity0low10
Choroby OUN@pl0low10
Chronic Disease0low20
Chronic Illness0low20
Chronic Kidney Failure0medium142
Chronically Ill0low20
Cirrhosis, Liver0medium21
Clinically Isolated CNS Demyelinating Syndrome0low20
Clinically Isolated Syndrome, CNS Demyelinating0low20
CNS Disease0low10
CNS Diseases0low10
Congestive Heart Failure0medium114
Cramp-Fasciculation Syndrome0low20
DDD MPGNII0low10
Demyelinating Diseases0low20
Demyelinating Disorders0low20
Demyelination0low20
Dense Deposit Disease0low10
Diabetes Mellitus, Adult-Onset0medium11
Diabetes Mellitus, Ketosis-Resistant0medium11
Diabetes Mellitus, Maturity-Onset0medium11
Diabetes Mellitus, Non Insulin Dependent0medium11
Diabetes Mellitus, Non-Insulin-Dependent0medium11
Diabetes Mellitus, Noninsulin Dependent0medium11
Diabetes Mellitus, Noninsulin-Dependent0medium11
Diabetes Mellitus, Slow-Onset0medium11
Diabetes Mellitus, Stable0medium11
Diabetes Mellitus, Type 20medium11
Diabetes Mellitus, Type II0medium11
Doenu00E7as do Sistema Nervoso Central@pt0low10
Dropsy0low60
Drug-Induced Acute Liver Injury0low10
Drug-Induced Liver Disease0low10
Drug-Induced Liver Injury0low10
Edema0low60
Ehrlich Ascites Tumor0low10
Electrolytes0medium135
End-Stage Kidney Disease0medium142
End-Stage Renal Disease0medium142
Enfermedades del Sistema Nervioso Central@es0low10
Enlarged Liver0low10
ESRD0medium142
Fasciculation-Cramp Syndrome, Benign0low20
Fibrosis, Liver0medium21
Focal Segmental Glomerulosclerosis0low10
Foley-Denny-Brown Syndrome0low20
Glomerulonephritis0low10
Glomerulonephritis, Focal Sclerosing0low10
Glomerulonephritis, Hypocomplementemic0low10
Glomerulonephritis, Membranoproliferative0low10
Glomerulonephritis, Mesangiocapillary0low10
Glomerulosclerosis, Focal0low10
Glomerulosclerosis, Focal Segmental0low10
Heart Attack0medium11
Heart Decompensation0medium114
Heart Diseases0low10
Heart Disorders0low10
Heart Failure0medium114
Heart Failure, Congestive0medium114
Heart Failure, Left-Sided0medium114
Heart Failure, Right-Sided0medium114
Hepatic Cirrhosis0medium21
Hepatitis, Drug-Induced0low10
Hepatitis, Toxic0low10
Hepatomegaly0low10
Hyalinosis, Segmental0low10
Hyalinosis, Segmental Glomerular0low10
Hydrops0low60
Hypertension0medium209
Hypertension, Renal0medium42
Ischemia0low10
Keskushermoston sairaudet@fi0low10
Kidney Diseases0medium42
Kidney Failure, Acute0low30
Kidney Failure, Chronic0medium142
Kidney Insufficiency, Acute0low30
Kidney Scarring0low10
Kidney, Polycystic0low10
Left-Sided Heart Failure0medium114
Liver Cirrhosis0medium21
Liver Fibrosis0medium21
Liver Injury, Drug-Induced0low10
Liver Injury, Drug-Induced, Acute0low10
Maladie du systu00E8me nerveux central@fr0low10
Malattie del sistema nervoso centrale@it0low10
Maturity-Onset Diabetes0medium11
Maturity-Onset Diabetes Mellitus0medium11
Membranoproliferative Glomerulonephritis0low10
Membranoproliferative Glomerulonephritis Type II0low10
Membranoproliferative Glomerulonephritis, Type I0low10
Membranoproliferative Glomerulonephritis, Type II0low10
Membranoproliferative Glomerulonephritis, Type III0low10
Menopause0medium11
Mesangiocapillary Glomerulonephritis0low10
Mesangiocapillary Glomerulonephritis, Type I0low10
Mesangiocapillary Glomerulonephritis, Type II0low10
Metabolic Acidosis0low10
MODY0medium11
MPGN0low10
MPGNII0low10
Muscular Atrophy0low10
Myelopathy0low10
Myocardial Failure0medium114
Myocardial Infarct0medium11
Myocardial Infarction0medium11
nemoci centru00E1lnu00EDho nervovu00E9ho systu00E9mu@cs0low10
Nephrotic Syndrome0medium21
Neurogenic Muscular Atrophy0low10
Neuromuscular Diseases0low20
Neurotrophic Muscular Atrophy0low10
NIDDM0medium11
Noninsulin-Dependent Diabetes Mellitus0medium11
Oppenheim Disease0low20
Oppenheim's Disease0low20
Peripheral Nerve Diseases0low20
Peripheral Nervous System Disease0low20
Peripheral Nervous System Diseases0low20
Peripheral Nervous System Disorders0low20
Peripheral Neuropathies0low20
PNS (Peripheral Nervous System) Diseases0low20
PNS Diseases0low20
Polycystic Kidney0low10
Polycystic Kidney Disease0low10
Polycystic Kidney Diseases0low10
Polycystic Kidneys0low10
Polycystic Renal Disease0low10
Proteinuria0medium11
Regurgitation, Aortic Valve0low10
Renal Disease, End-Stage0medium142
Renal Failure, Acute0low30
Renal Failure, Chronic0medium142
Renal Failure, End-Stage0medium142
Renal Insufficiency, Acute0low30
Right-Sided Heart Failure0medium114
Segmental Glomerular Hyalinosis0low10
Spinal Cord Diseases0low10
Spinal Cord Disorders0low10
SREDIu0160NJI u017DIVu010CANI SUSTAV, BOLESTI@hr0low10
Subendothelial Membranoproliferative Glomerulonephritis0low10
Sykdommer i sentralnervesystemet@no0low10
Toxic Hepatitis0low10
Type 2 Diabetes0medium11
Type 2 Diabetes Mellitus0medium11
Type II MPGN0low10
u041Du0415u0420u0412u041Du041Eu0419 u0421u0418u0421u0422u0415u041Cu042B u0426u0415u041Du0422u0420u0410u041Bu042Cu041Du041Eu0419 u0411u041Eu041Bu0415u0417u041Du0418@ru0low10
u4E2Du67A2u795Eu7D4Cu7CFBu75BEu60A3@ja0low10
Uremia0low30
Water-Electrolyte Imbalance0low10
Zentralnervensystemkrankheiten@de0low10
Ziekte, centraalzenuwstelsel-@nl0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
[Can gentamicin nephrotoxicity in rats be modified by chronic administration of muzolimine?].
Pathologie-biologie, Volume: 34, Issue: 5 Pt 2		1986
Influence of muzolimine, a new diuretic, on experimental gentamicin nephrotoxicity.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, Volume: 2, Issue: 6		1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (4)

ArticleYear
Acute and chronic diuretic-induced alterations in urinary sodium and calcium excretion in the conscious rat.
Mineral and electrolyte metabolism, Volume: 8, Issue: 6		1982
Muzolimine in the treatment of essential arterial hypertension not controlled with other antihypertensive drugs.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics and pharmacodynamics of muzolimine in chronic heart failure.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
[Can gentamicin nephrotoxicity in rats be modified by chronic administration of muzolimine?].
Pathologie-biologie, Volume: 34, Issue: 5 Pt 2		1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (10)

ArticleYear
[Pharmacodynamic and pharmacokinetic studies of muzolimine in patients with hepatogeneous ascites (author's transl)].
Zeitschrift fur Gastroenterologie, Volume: 18, Issue: 10		1980
Pharmacokinetics and saluretic effect of muzolimine in severe cardiac failure.
Current medical research and opinion, Volume: 6, Issue: 6		1980
Clinical study of muzolimine in acute renal failure, pharmacodynamics and pharmacokinetics.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Diuretic effect and pharmacokinetic data observed at different stages of chronic renal failure with 240 mg of muzolimine.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics of muzolimine after acute and chronic dosing in hypertensive patients with mild renal insufficiency.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics and pharmacodynamics of muzolimine in chronic heart failure.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics of muzolimine after oral administration with and without aluminium hydroxide in healthy volunteers.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacodynamic and pharmacokinetic correlation of muzolimine with and without aluminium hydroxide.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Effects of haemodialysis on the pharmacokinetics of muzolimine.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Is the antihypertensive effect of muzolimine due to volume depletion?
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (1)

ArticleYear
Food and muzolimine interaction.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (11)

ArticleYear
Clinicopharmacological reappraisal of the potency of diuretics.
Cardiovascular drugs and therapy, Volume: 7 Suppl 1		1993
Pharmacokinetics of muzolimine after acute and chronic dosing in hypertensive patients with mild renal insufficiency.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics and pharmacodynamics of muzolimine in chronic heart failure.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Beneficial effect of muzolimine in postischemic acute renal failure in rats.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Pharmacokinetics of muzolimine after oral administration with and without aluminium hydroxide in healthy volunteers.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
The effects of single doses of muzolimine upon urinary solute and fluid excretion.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Step-dose of muzolimine at different stages of chronic renal failure: comparison with furosemide.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
[Can gentamicin nephrotoxicity in rats be modified by chronic administration of muzolimine?].
Pathologie-biologie, Volume: 34, Issue: 5 Pt 2		1986
Muzolimine and nitrendipine in the treatment of arterial hypertension.
Zeitschrift fur Kardiologie, Volume: 74 Suppl 2		1985
Muzolimine: renal site of action and interaction with probenecid in humans.
Clinical pharmacology and therapeutics, Volume: 50, Issue: 5 Pt 1		1991
Muzolimine-induced severe neuromyeloencephalopathy: report of seven cases.
Acta neurologica Scandinavica, Volume: 83, Issue: 1		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]