Compounds > ibopamine
Page last updated: 2024-09-23

ibopamine

Description

ibopamine: structure given in UD 31;67a & in 2nd source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID68555
CHEMBL ID307739
CHEBI ID135306
SCHEMBL ID147258
MeSH IDM0080783

Synonyms (37)

Synonym
CHEMBL307739
trazyl
sb-7505
ibopamine
4-[2-(methylamino)ethyl]benzene-1,2-diyl bis(2-methylpropanoate)
ibopamine (usan/inn)
D04488
66195-31-1
propanoic acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene ester
ibopamino [inn-spanish]
einecs 266-229-5
sb 7505
4-(2-(methylamino)ethyl)-2-phenylendiisobutyrat
skf 100168
ibopaminum [inn-latin]
4-(2-(methylamino)ethyl)-o-phenylene diisobutyrate
L013392
CHEBI:135306
[4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
8zca2i2l11 ,
ibopamine [usan:inn:ban]
unii-8zca2i2l11
ibopaminum
ibopamino
4-[2-(methylamino)ethyl]-o-phenylene diisobutyrate
ibopamine [inn]
ibopamine [usan]
ibopamine [mart.]
ibopamine [who-dd]
ibopamine [mi]
SCHEMBL147258
DTXSID3023138
5-[2-(methylamino)ethyl]-2-[(2-methylpropanoyl)oxy]phenyl 2-methylpropanoate
Q5984366
DB13316
4-(2-(methylamino)ethyl)-1,2-phenylene bis(2-methylpropanoate)
sb 7505; sb 7505 (pharmaceutical); skf 100168

Research Excerpts

Overview

ExcerptReference
"An ibopamine challenge is a novel technique for assessing glaucoma using ibopamine, a topical drug which temporarily increases aqueous production. "( Craig, JE; Landers, J; Ullrich, K, 2015)
"Ibopamine is a prodrug of epinine (deoxyepinephrine) that exhibits activity at dopaminergic and adrenergic receptors. "( Brubaker, RF; Ciarniello, MG; Dionisio, P; Herman, DC; McLaren, JW; Nau, CB; Rosignoli, MT; Wayman, LL, 2003)
"Ibopamine is a non-selective dopamine- and adrenalin-receptor agonist that has been shown to cause pupillary dilation and an increase in aqueous humour secretion. "( Iliev, ME; Windisch, BK, 2006)
"Ibopamine is an alpha-adrenergic agent and causes an elevation of intraocular pressure in eyes with increased outflow resistance. "( Gloor, BP; Kniestedt, C; Romppainen, T; Stürmer, J, 2007)
"Ibopamine is an orally active dopamine agonist (DA) with both hemodynamic and neurohumoral properties in humans."( Buikema, H; de Graeff, PA; Hegeman, H; Lie, KI; Scholtens, E; van Gilst, WH; van Veldhuisen, DJ, 1994)
"Ibopamine is an original dopamine analogue. "( Galbiati, I; Gazzaniga, A; Gianesello, V; Soldati, L; Virno, M, 1993)
"Ibopamine is an active dopamine analogue leading to improved renal perfusion and afterload reduction in heart failure. "( Cabell, B; Glogar, D; Kleber, FX; Sabin, GV; Thyroff-Friesinger, U, 1992)
"Ibopamine is an orally active derivative of dopamine (DA) which metabolizes to its active form, epinine. "( Itoh, H, 1991)
"Ibopamine is a new, orally active drug with a predominant action on dopaminergic adrenoceptors."( Man in't Veld, AJ, 1991)
"Ibopamine is a dopamine-like drug that shows mainly vasoactive properties, predominantly acting on dopamine1-(DA1-) and DA2-adrenoceptors. "( López-Sendón, J, 1991)
"Ibopamine (IP) is a novel dopamine analogue for which beneficial effects have been shown in chronic heart failure. "( Theisen, K; Wehling, M, 1991)
"Ibopamine is a dopamine-related drug active by oral route, namely the diisobutyric ester of N-methyl-dopamine."( Marchetti, GV, 1990)
"Ibopamine is an orally active dopaminergic substance and acts mainly as a vasodilator in patients with heart failure."( Storstein, L, 1990)
"Ibopamine is a new, orally active dopamine-like drug with inotropic and vasoactive properties. "( López-Sendón, J, 1990)
"1. Ibopamine is a new orally active inodilator, which is developed for the treatment of congestive heart failure (CHF). "( Crijns, HJ; de Graeff, PA; Girbes, AR; Lie, KI; Smit, AJ; van Veldhuisen, DJ, 1990)
"Ibopamine is a novel oral dopamine analogue with positive inotropy and diuretic effects. "( Gerzer, R; Theisen, K; Wehling, M; Weil, J; Zimmermann, J, 1990)
"Ibopamine is a novel oral dopamine analogue with vasodilatory, positive inotropic and diuretic effects. "( Theisen, K; Wehling, M; Zimmermann, J, 1990)
"Ibopamine is a dopaminergic and adrenergic receptor agonist, which is active in the treatment of congestive heart failure. "( , 1989)
"Ibopamine is a new orally active dopamine analogue with positive inotropic and vasodilating activity. "( Abbondati, G; Cavalli, A; Cedrini, MC; Fuccella, LM; Riva, E; Schleman, M, 1989)
"Ibopamine is an orally active derivative of dopamine which undergoes hydrolysis to the active moiety epinine. "( Henwood, JM; Todd, PA, 1988)
"Ibopamine is an orally effective derivative of dopamine capable of eliciting peripheral and renal vasodilating activity and positive inotropic action. "( Bussmann, WD; Frik, R; Wienhöfer, K, 1988)
"Ibopamine is a new dopamine derivative, active on dopaminergic and beta-adrenergic receptors, whose hemodynamic activity has been acutely demonstrated."( Dei Cas, L; Manca, C; Metra, M; Nodari, S; Riva, S; Visioli, O, 1988)

Effects

ExcerptReference
"Ibopamine has hemodynamic and neurohumoral effects potentially useful for the treatment of congestive heart failure (CHF), but its mechanism of action is not completely clear. "( Cas, LD; Metra, M; Missale, C; Spano, PF, 1995)
"Ibopamine has varying degrees of affinity for these various families, being the highest for the dopamine receptors and the lowest for the alpha adrenergic receptors."( Pouleur, H, 1995)
"Ibopamine has been shown to be a safe and useful drug added to conventional treatment of cardiac heart failure."( Astorga, MA; Ceia, F; Coelho, EM; Fonseca, C; Gil, V; Gomes, RS; Gouveia, R; Luís, AS; Mota, E; Riva, E, 1992)
"Ibopamine has proved to be safe in many thousands of heart failure patients during long-term therapy."( Man in't Veld, AJ, 1991)
"Ibopamine has potential in improving prognosis by its major effects: vasodilatation, decrease in vasoactive hormones and improvement in renal blood flow and water diuresis."( Kleber, FX, 1991)

Actions

ExcerptReference
"Ibopamine seems to increase the risk of death among patients with advanced heart failure who are already receiving optimum therapy, but the reasons for this increase are not clear. "( Ardia, A; Block, P; Cortina, A; Cowley, AJ; Cserhalmi, L; Follath, F; Hampton, JR; Jensen, G; Kayanakis, J; Kleber, FX; Lie, KI; Mancia, G; Skene, AM; van Veldhuisen, DJ, 1997)
"Ibopamine was found to increase cardiac output and stroke index and to decrease systemic vascular resistance in this acute study."( Itoh, H; Koike, A; Nakamura, S; Sato, Y; Taniguchi, K; Tsujibayashi, T, 1992)
"Ibopamine is able to activate dopamine specific and adrenergic receptors in the heart and circulation, inducing a vasodilating activity together with a mild positive inotropic effect without increasing heart rate and myocardial O2 consumption."( Marchetti, GV, 1990)
"Ibopamine does not produce undesirable renal side effects, but affects the neurohumoral status favourably."( Theisen, K; Wehling, M; Zimmermann, J, 1990)
"Ibopamine had a slower but more prolonged effect on cardiac output (increase of up to 32.1% at 60 min) and systemic vascular resistances."( Compostella, L; Cucchini, F; Di Mario, C; Ghirardi, P; Iavernaro, A; Libardoni, M, 1990)
"Ibopamine caused an increase in mean estimated stroke volume (SV +29% for the maximum change from baseline and +15% cumulatively over the first h) with no change in mean heart rate (HR) or QTc."( Brendel, E; de Mey, C; Enterling, D; Wesche, H, 1988)

Treatment

ExcerptReference
"Ibopamine treatment was ineffective in Group 2, while in Group 1 patients there was a statistically significant increase in creatinine clearance (+23% after 3 months, +31% after 6 months)."( Colí, L; Docci, D; Mosconi, G; Prandini, R; Stefoni, S; Vangelista, A, 1982)
"Ibopamine-treatment, which resulted in peak plasma epinine concentrations of 4-5 nmol.l-1, neither affected resting heart rate or blood pressure, nor any of the alpha- or beta-adrenoceptor parameters measured."( Boomsma, F; Brodde, OE; Klusmann, I; Man in't Veld, AJ; Michel, MC; Wojcik, M, 1993)

Drug Classes (2)

ClassDescription
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
benzoate esterEsters of benzoic acid or substituted benzoic acids.
[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 (19)

Assay IDTitleYearJournalArticle
AID496828Antimicrobial activity against Leishmania donovani2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID409942Inhibition of human recombinant MAOA by fluorimetric method2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID496829Antimicrobial activity against Leishmania infantum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496817Antimicrobial activity against Trypanosoma cruzi2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID497005Antimicrobial activity against Pneumocystis carinii2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID409943Inhibition of human recombinant MAOB by fluorimetric method2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID496832Antimicrobial activity against Trypanosoma brucei rhodesiense2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496818Antimicrobial activity against Trypanosoma brucei brucei2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496827Antimicrobial activity against Leishmania amazonensis2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496819Antimicrobial activity against Plasmodium falciparum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496831Antimicrobial activity against Cryptosporidium parvum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496820Antimicrobial activity against Trypanosoma brucei2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496825Antimicrobial activity against Leishmania mexicana2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID40531Positive inotropic effects by direct or indirect beta-1 adrenergic receptor activation.1987Journal of medicinal chemistry, Feb, Volume: 30, Issue:2
In search of the digitalis replacement.
AID496821Antimicrobial activity against Leishmania2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496824Antimicrobial activity against Toxoplasma gondii2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496826Antimicrobial activity against Entamoeba histolytica2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496823Antimicrobial activity against Trichomonas vaginalis2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496830Antimicrobial activity against Leishmania major2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (287)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990131 (45.64)18.7374
1990's120 (41.81)18.2507
2000's26 (9.06)29.6817
2010's9 (3.14)24.3611
2020's1 (0.35)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 (%)
Trials87 (27.71%)5.53%
Reviews38 (12.10%)6.00%
Case Studies13 (4.14%)4.05%
Observational1 (0.32%)0.25%
Other175 (55.73%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
amrinone[no description available]medium70bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
milrinone[no description available]medium40bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
pimobendan[no description available]medium20benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
vesnarinone[no description available]medium30organic molecular entity
dobutamine[no description available]medium90catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
prenalterol[no description available]medium20aromatic ether
enoximone[no description available]medium20aromatic ketone
piroximone[no description available]medium30
dopexamine[no description available]medium40catecholamine
imazodan[no description available]medium10
buquineran[no description available]medium10
carbazeran[no description available]medium10
3-amino-6-methyl-5-phenyl-2(1h)-pyridinone[no description available]medium10
xamoterol[no description available]medium60morpholines
4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2h)-pyridazinone[no description available]medium10
pelrinone[no description available]medium10
quazinone[no description available]medium20
lixazinone[no description available]medium10
quinacrine[no description available]medium20acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
chlordecone[no description available]medium10cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant
aminocaproic acid[no description available]medium20amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
5,6-dimethylbenzimidazole[no description available]medium10dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite
hexachlorocyclohexane[no description available]medium10chlorocyclohexane
parathion[no description available]medium10C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
amitrole[no description available]medium10aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium20aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium20acetamides;
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]medium20monocarboxylic 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
albuterol[no description available]medium20phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
altretamine[no description available]medium10triamino-1,3,5-triazine
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ametantrone[no description available]medium10
aminoglutethimide[no description available]medium20dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) 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
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amlodipine[no description available]medium20dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
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]medium20ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium20aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azinphosmethyl[no description available]medium10benzotriazines;
organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisoprolol[no description available]medium20secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromhexine[no description available]medium20organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bumetanide[no description available]medium20amino 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
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
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
carbazilquinone[no description available]medium10organic molecular entity
carmofur[no description available]medium10organohalogen compound;
pyrimidines
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carteolol[no description available]medium20quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
celiprolol[no description available]medium10aromatic ketone
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
chloroquine[no description available]medium20aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
cimetidine[no description available]medium20aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
clenbuterol[no description available]medium20amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clioquinol[no description available]medium20monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
cycloleucine[no description available]medium10non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
dapsone[no description available]medium20substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
debrisoquin[no description available]medium20carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dicamba[no description available]medium10dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
diethylcarbamazine[no description available]medium10N-carbamoylpiperazine;
N-methylpiperazine
diflunisal[no description available]medium20monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dimercaprol[no description available]medium20dithiol;
primary alcohol		chelator
dinitolmide[no description available]medium10dinitrotoluene
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
dipyrone[no description available]medium10amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
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
domperidone[no description available]medium20benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
ethinamate[no description available]medium10carbamate ester;
terminal acetylenic compound		sedative
ethosuximide[no description available]medium20dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
felodipine[no description available]medium20dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berotek[no description available]medium20resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium20N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
flutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
furosemide[no description available]medium100chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
furosemide[no description available]medium107chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glutethimide[no description available]medium20piperidines
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
guanethidine[no description available]medium20azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hydralazine[no description available]medium20azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium50benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydrochlorothiazide[no description available]medium53benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium20one-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
ibuprofen[no description available]medium20monocarboxylic 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]medium20primary amine
lidocaine[no description available]medium20benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
indapamide[no description available]medium20indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
iproniazid[no description available]medium10carbohydrazide;
pyridines
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium30catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoproterenol[no description available]medium31catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
labetalol[no description available]medium20benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lomustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
mechlorethamine[no description available]medium20nitrogen mustard;
organochlorine compound		alkylating agent
mephenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
methoxyflurane[no description available]medium20ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyclothiazide[no description available]medium10benzothiadiazine
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium20beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium60benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoclopramide[no description available]medium62benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metronidazole[no description available]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium20aromatic ether;
primary amino compound		anti-arrhythmia drug
minoxidil[no description available]medium20dialkylarylamine;
tertiary amino compound
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
clorgyline[no description available]medium10aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nifedipine[no description available]medium40C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nifedipine[no description available]medium41C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
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
nitrendipine[no description available]medium20C-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]medium30nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nitroglycerin[no description available]medium31nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nylidrin[no description available]medium10alkylbenzene
oxprenolol[no description available]medium20aromatic ether
4-dichlorobenzene[no description available]medium10dichlorobenzeneinsecticide
pentamidine[no description available]medium20aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacemide[no description available]medium10acetamides
phenacetin[no description available]medium20acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phentermine[no description available]medium20primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pipobroman[no description available]medium10N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent
polythiazide[no description available]medium10benzothiadiazine
prilocaine[no description available]medium10amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic
primaquine[no description available]medium20aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procaine[no description available]medium20benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
procarbazine[no description available]medium20benzamides;
hydrazines		antineoplastic agent
ranitidine[no description available]medium20aralkylamine
resorcinol[no description available]medium10benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
semustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
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
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfacetamide[no description available]medium10N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine[no description available]medium10sulfonamide antibioticantiinfective 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
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
sulfamethoxypyridazine[no description available]medium10pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) 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
sulfathiazole[no description available]medium101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sulfoxone[no description available]medium10sulfonamide
tegafur[no description available]medium10organohalogen compound;
pyrimidines
terbutaline[no description available]medium20phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
2,2'-thiodiethanol[no description available]medium10aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
thiotepa[no description available]medium10aziridines
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium20N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
triamterene[no description available]medium20pteridinesdiuretic;
sodium channel blocker
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
2,2',2''-trichlorotriethylamine[no description available]medium10
trimethadione[no description available]medium20oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
urethane[no description available]medium10carbamate esterfungal metabolite;
mutagen
vesamicol[no description available]medium10piperidines
reserpine[no description available]medium40alkaloid 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
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
triethylenemelamine[no description available]medium101,3,5-triazinesalkylating agent;
insect sterilant
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
paramethasone[no description available]medium20fluorinated steroid
azauridine[no description available]medium10N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
idoxuridine[no description available]medium10organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
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
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]medium20carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
dromostanolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
bromodeoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
thiamine[no description available]medium10organic chloride salt;
vitamin B1
levodopa[no description available]medium150amino 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
methicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
zoxazolamine[no description available]medium10benzoxazole
aniline[no description available]medium10anilines;
primary arylamine
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
uracil mustard[no description available]medium10aminouracil;
nitrogen mustard
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
fluocinolone acetonide[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
triaziquone[no description available]medium101,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent
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]medium20beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfobromophthalein sodium[no description available]medium20organic sodium saltdye
dalapon[no description available]medium10carboxylic acid;
organohalogen compound
methylpentynol[no description available]medium10ynone
methylprednisolone[no description available]medium206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium30glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
isosorbide dinitrate[no description available]medium31glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pseudoephedrine[no description available]medium20phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
fenoprop[no description available]medium10monocarboxylic acidphenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
dicloran[no description available]medium10aromatic fungicide;
dichlorobenzene;
nitroaniline		antifungal agrochemical
phenylhydrazine[no description available]medium10phenylhydrazinesxenobiotic
dyrene[no description available]medium10monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical
acrolein[no description available]medium10enalherbicide;
human xenobiotic metabolite;
toxin
tetraethylenepentamine[no description available]medium10polyazaalkanecopper chelator
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
chloranil[no description available]medium101,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
amiben[no description available]medium10chlorobenzoic acid
monuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic
iminodiacetic acid[no description available]medium10amino dicarboxylic acid;
glycine derivative;
non-proteinogenic alpha-amino acid		chelator
phenetidine[no description available]medium10aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
diazooxonorleucine[no description available]medium10amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist
methylpentynol carbamate[no description available]medium10
mechlorethamine n-oxide[no description available]medium10nitrogen mustard
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
linuron[no description available]medium10dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
carbutamide[no description available]medium10benzenes;
sulfonamide
betamethasone[no description available]medium2011beta-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
hydantoins[no description available]medium10imidazolidine-2,4-dione
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
emetine[no description available]medium20isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
pamaquine[no description available]medium10aminoquinoline
mustard gas[no description available]medium10ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
medroxyprogesterone[no description available]medium2017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
apronalide[no description available]medium10N-acylurea
4,6-dinitro-o-cresol[no description available]medium10dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide
metahexamide[no description available]medium10benzenes;
sulfonamide
megestrol acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
toyocamycin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
erythromycin[no description available]medium20cyclic ketone;
erythromycin
hadacidin[no description available]medium10aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
carbophenothion[no description available]medium10organic sulfide
porfiromycin[no description available]medium10
vinblastine[no description available]medium10
deoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
testolactone[no description available]medium103-oxo-Delta(1),Delta(4)-steroid;
seco-androstane
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
pyrithioxin[no description available]medium10methylpyridines
nsc 65346[no description available]medium10nucleoside analogueprotein kinase inhibitor
guanazole[no description available]medium10aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa[no description available]medium10phosphoramide
ioxynil[no description available]medium10iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic
bromoxynil[no description available]medium10dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
picloram[no description available]medium10aminopyridine;
chloropyridine;
organochlorine pesticide;
pyridinemonocarboxylic acid		herbicide;
synthetic auxin
ethoglucid[no description available]medium10epoxide
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
1,3,5-triglycidyl-s-triazinetrione[no description available]medium10
acetophenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
improsan[no description available]medium10organosulfonic ester
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
piperacetazine[no description available]medium10phenothiazines
beclomethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
pentaquine[no description available]medium10
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
isopentenyladenosine[no description available]medium10N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
phenacid[no description available]medium10
xipamide[no description available]medium20benzamides
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium20glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
isosorbide-5-mononitrate[no description available]medium21glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pentamethylmelamine[no description available]medium10
calusterone[no description available]medium103-hydroxy steroidandrogen
danazol[no description available]medium2017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
lisuride[no description available]medium10monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
etoprine[no description available]medium10
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
razoxane[no description available]medium10N-alkylpiperazine
cephapirin[no description available]medium10cephalosporinantibacterial drug
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
bromocriptine[no description available]medium30indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium2011beta-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
azetepa[no description available]medium10phosphoramide
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
ripazepam[no description available]medium10benzenes
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
prednimustine[no description available]medium10corticosteroid hormone
amygdalin[no description available]medium10cyanogenic glycoside;
disaccharide derivative;
gentiobioside		plant metabolite
amineptin[no description available]medium20amino 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
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]medium20beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
ticarcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
etidocaine[no description available]medium10amino acid amidelocal anaesthetic
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
methyldopa[no description available]medium30L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
tocainide[no description available]medium20monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sq-11725[no description available]medium20
nimustine[no description available]medium10aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
butibufen[no description available]medium20monoterpenoid
spiromustine[no description available]medium10
diaziquone[no description available]medium101,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
cefonicid[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
triciribine phosphate[no description available]medium10
captopril[no description available]medium130alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
captopril[no description available]medium136alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
bw-755c[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium20monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
piritrexim[no description available]medium20
caracemide[no description available]medium10
bambuterol[no description available]medium20carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
cilazapril, anhydrous[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone[no description available]medium101,4-benzoquinones
morzid[no description available]medium10morpholines
febrifugine[no description available]medium10quinazolines
thymine arabinoside[no description available]medium10N-glycosyl compound
psicofuranine[no description available]medium10psicose derivative;
purine nucleoside
triciribine[no description available]medium10nucleoside analogueEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine[no description available]medium10
bendamustine[no description available]medium10benzimidazoles
trofosfamide[no description available]medium10ifosfamides
4-aminobenzoic acid-n-xyloside[no description available]medium10
fotrin[no description available]medium10
sufosfamide[no description available]medium10
propatyl nitrate[no description available]medium10nitrate ester
dexfenfluramine[no description available]medium20fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
sulfamidochrysoidine[no description available]medium10
pumitepa[no description available]medium10
elmustine[no description available]medium10
forphenicinol[no description available]medium10
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
inproquone[no description available]medium10
neplanocin a[no description available]medium10
1-ethoxysilatrane[no description available]medium10
tretazicar[no description available]medium10
nsc-172755[no description available]medium10
streptovitacin a[no description available]medium10
cb 10375[no description available]medium10
carbenicillin indanyl[no description available]medium10penicillin
cb 1837[no description available]medium10
hexaphosphamide[no description available]medium10
dipin[no description available]medium10
phosphazine[no description available]medium10
diiodobenzotepa[no description available]medium10
icig 1163[no description available]medium10
bimolane[no description available]medium10
thiodipin[no description available]medium10
fluoxydine[no description available]medium10
imiphos[no description available]medium10
aldophosphamide[no description available]medium10nitrogen mustard
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
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione[no description available]medium10
oxymatrine[no description available]medium10alkaloid;
tertiary amine oxide
1,1,2-trichloroethanol[no description available]medium10
iremycin[no description available]medium10
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
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine[no description available]medium10
hainanensine[no description available]medium10
ritrosulfan[no description available]medium10
damvar[no description available]medium10
benzo-tepa[no description available]medium10
tevenel[no description available]medium10sulfonamide
tac 278[no description available]medium10
aminopterin[no description available]medium10dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid[no description available]medium10
atropine[no description available]medium20
deflazacort[no description available]medium20corticosteroid hormone
hexestrol diphosphate[no description available]medium10
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
demecolcine[no description available]medium10alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
nsc-89199[no description available]medium10carbamate ester;
organochlorine compound;
steroid phosphate
estramustine[no description available]medium2017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
phenethicillin[no description available]medium10penicillin allergen;
penicillin
indicine-n-oxide[no description available]medium10
trimethoprim, sulfamethoxazole drug combination[no description available]medium10
oxytocin[no description available]medium20heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
digitoxin[no description available]medium20cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
netilmicin[no description available]medium10
bacampicillin[no description available]medium10penicillanic acid esterprodrug
angustibalin[no description available]medium10sesquiterpene lactone
metrizamide[no description available]medium10amino sugar
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
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
formycin[no description available]medium10formycinantineoplastic agent
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
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
azaserine[no description available]medium10carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol[no description available]medium10alkylbenzene
aceglatone[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium20
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
mitobronitol[no description available]medium10alcohol;
organobromine compound
leuprolide[no description available]medium20oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
octotropine methylbromide[no description available]medium20
fludarabine[no description available]medium10purine nucleoside
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
methylatropine nitrate[no description available]medium10
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
thioinosine[no description available]medium10
thiouracil[no description available]medium10nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
digoxin[no description available]medium110cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
digoxin[no description available]medium118cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
6-thioguanosine[no description available]medium10purine nucleoside
streptozocin[no description available]medium10
ethionamide[no description available]medium20pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
thiocarlide[no description available]medium10thioureas
mannomustine[no description available]medium10amino alcohol
gestodene[no description available]medium20steroidestrogen
glucametacin[no description available]medium20
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea[no description available]medium10
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium20prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
amphotericin b[no description available]medium20antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
cynarine[no description available]medium20alkyl caffeate ester;
quinic acid		plant metabolite
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
codeine[no description available]medium20morphinane 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
dihydrocodeine[no description available]medium20morphinane alkaloid
ly 163892[no description available]medium20carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
naloxone[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
morphine[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
pactamycin[no description available]medium10
anthramycin[no description available]medium10
lacidipine[no description available]medium20cinnamate ester;
tert-butyl ester
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium20acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
irisquinone[no description available]medium10
mitoguazone[no description available]medium10guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
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
enalapril[no description available]medium20dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
enalapril[no description available]medium21dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium10
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
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
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ceftiofur[no description available]medium10
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
sibiromycin[no description available]medium10aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
1-methyl-d-lysergic acid butanolamide[no description available]medium20ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
butylscopolammonium bromide[no description available]medium20
fumagillin[no description available]medium10antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
thioacetazone[no description available]medium10
treosulfan[no description available]medium10methanesulfonate ester
gentamicin sulfate[no description available]medium10
nkp 608[no description available]medium10
ganu[no description available]medium10
metamelfalan[no description available]medium10
vindesine[no description available]medium10
diflucortolone[no description available]medium2021-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose[no description available]medium10
ro 6-4563[no description available]medium10monoterpenoid
flucloronide[no description available]medium1021-hydroxy steroid
hainanolide[no description available]medium10
gliocladic acid[no description available]medium10p-menthane monoterpenoid
cleistanthin[no description available]medium10cleistanthins;
xylose derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
nimorazole[no description available]medium10
ascorbic acid[no description available]medium20ascorbic 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]medium20
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium20
minocycline[no description available]medium20
bactobolin[no description available]medium10amino acid amide
mobiflex[no description available]medium20heteroaryl 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
demeclocycline[no description available]medium10
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
rifampin[no description available]medium20cyclic 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
dacarbazine[no description available]medium10dacarbazine
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
allopurinol[no description available]medium20nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
azaguanine[no description available]medium10nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine[no description available]medium10
7-deazaguanosine[no description available]medium10
pyrazofurin[no description available]medium10C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate[no description available]medium10folic acids
5-methyltetrahydrohomofolic acid[no description available]medium10
ninopterin[no description available]medium10
aminooxyacetic acid[no description available]medium10amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
alendronate[no description available]medium101,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprazolam[no description available]medium10organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
amiodarone[no description available]medium301-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amiodarone[no description available]medium311-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
aprindine[no description available]medium10indanes
bepridil[no description available]medium10pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
bretylium[no description available]medium10quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
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
chlordiazepoxide[no description available]medium10benzodiazepine
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
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonidine[no description available]medium20clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
desipramine[no description available]medium10dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
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
3,4-dihydroxybenzohydroxamic acid[no description available]medium10benzoic acids
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethyl loflazepate[no description available]medium10organic molecular entity
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
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
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
incadronate[no description available]medium101,1-bis(phosphonic acid)
indomethacin[no description available]medium10aromatic 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
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
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
ketotifen[no description available]medium10cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lorazepam[no description available]medium10benzodiazepine
maprotiline[no description available]medium10anthracenes
mazindol[no description available]medium10organic molecular entity
mefloquine hydrochloride[no description available]medium10organofluorine compound;
piperidines;
quinolines;
secondary alcohol
methoxyamine[no description available]medium10organooxygen compound
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
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nomifensine[no description available]medium10isoquinolinesdopamine uptake inhibitor
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
olomoucine[no description available]medium102,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
oxatomide[no description available]medium10benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
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
pamidronate[no description available]medium10phosphonoacetic acid
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
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
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
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propranolol[no description available]medium50naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
propranolol[no description available]medium51naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
risedronic acid[no description available]medium10pyridines
sulforaphane[no description available]medium10isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
terfenadine[no description available]medium10diarylmethane
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
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
triazolam[no description available]medium10triazolobenzodiazepinesedative
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
sterogenol[no description available]medium10bromide salt;
pyridinium salt		antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
cycloguanil[no description available]medium10triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
benzohydroxamic acid[no description available]medium10
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
pyrodifenium bromide[no description available]medium10organic molecular entity
amopyroquine[no description available]medium10
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
benzonidazole[no description available]medium10C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
halazepam[no description available]medium10organic molecular entity
dexchlorpheniramine[no description available]medium10chlorphenamine
halofantrine[no description available]medium10phenanthrenes
hydroxymaprotilin[no description available]medium10
diltiazem[no description available]medium205-[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
pinazepam[no description available]medium10benzodiazepine
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
salmeterol xinafoate[no description available]medium10naphthoic acid
ibandronic acid[no description available]medium10
trovafloxacin[no description available]medium10
ursolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
propamidine[no description available]medium10aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
sinefungin[no description available]medium10adenosines;
non-proteinogenic alpha-amino acid		antifungal agent;
antimicrobial agent
droxicam[no description available]medium10organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
etofibrate[no description available]medium10monocarboxylic acid
synthalin a[no description available]medium10guanidineshepatotoxic agent;
hypoglycemic agent;
nephrotoxin
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
pirlindole[no description available]medium10carbazoles
artemether[no description available]medium10artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate[no description available]medium101,1-bis(phosphonic acid)
rexigen[no description available]medium10
aceclofenac[no description available]medium10amino 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
clociguanil[no description available]medium10
tebuquine[no description available]medium10
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
cryptolepine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate[no description available]medium10
desethylchloroquine[no description available]medium10aminoquinoline
wr 159412[no description available]medium10
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
benzyloxyamine[no description available]medium10
pyronaridine[no description available]medium10aminoquinoline
tafenoquine[no description available]medium10(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound
desethylamodiaquine[no description available]medium10
n,n-dideethylchloroquine[no description available]medium10
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine[no description available]medium10
ne 58051[no description available]medium10
wr 242511[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
olpadronic acid[no description available]medium10
lupeol[no description available]medium10pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite
neocryptolepine[no description available]medium10
1-hydroxypentane-1,1-bisphosphonate[no description available]medium10
cimadronate[no description available]medium10
1,1-hydroxyoctanodiphosphonate[no description available]medium10
quinidine[no description available]medium30cinchona 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
canaline[no description available]medium10amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
purvalanol a[no description available]medium10purvalanol
Tetrahydropiperine[no description available]medium10benzodioxoles
piperine[no description available]medium10benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
ilepcimide[no description available]medium10benzodioxoles
ipratropium bromide anhydrous[no description available]medium10
flunarizine[no description available]medium10diarylmethane
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
artemotil[no description available]medium10artemisinin derivative
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
alsterpaullone[no description available]medium10C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine[no description available]medium10harmala alkaloid
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
licochalcone a[no description available]medium10chalcones
stilbamidine[no description available]medium10
piperic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
nifuroxime[no description available]medium10
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
chlorproguanil[no description available]medium10dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide[no description available]medium10
artenimol[no description available]medium10
4-phenoxyphenoxyethyl thiocyanate[no description available]medium10
deoxoartemisinin[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
valproate sodium[no description available]medium10organic sodium saltgeroprotector
butyrolactone i[no description available]medium10butenolide
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
rolitetracycline[no description available]medium10
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
thiolactomycin[no description available]medium10
3,4,5-trihydroxybenzamidoxime[no description available]medium10benzenetriol
indocyanine green[no description available]medium211,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
deoxyepinephrine[no description available]medium31180catecholamine
cyclopentolate[no description available]medium20carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
tropicamide[no description available]medium43acetamides
phenylephrine[no description available]medium70phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
phenylephrine[no description available]medium72phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
adrenochrome[no description available]medium10indoles
fluorescein[no description available]medium112-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium
dapiprazole[no description available]medium22N-alkylpiperazine;
N-arylpiperazine;
pyridines		alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
triazoles[no description available]medium221,2,3-triazole
fenoldopam[no description available]medium100benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
phenoxybenzamine[no description available]medium20aromatic amine
thiazoles[no description available]medium101,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid[no description available]medium10
thiazolidines[no description available]medium10thiazolidine
sulpiride[no description available]medium51benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
gastrins[no description available]medium11
angiotensin ii[no description available]medium50amino acid zwitterion;
angiotensin II		human metabolite
lypressin[no description available]medium10cyclic peptide
trandolapril[no description available]medium11dicarboxylic 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
aldosterone[no description available]medium18811beta-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
dihydroergotoxine[no description available]medium22
phentolamine[no description available]medium30imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
phentolamine[no description available]medium31imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
isosorbide[no description available]medium11organic molecular entity
technetium tc 99m pentetate[no description available]medium11
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
coenzyme q10[no description available]medium10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
taurine[no description available]medium10amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
ubiquinone[no description available]medium10
moxisylyte[no description available]medium21monoterpenoid
bunazosin[no description available]medium10quinazolines
quinazolines[no description available]medium20azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
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
methacholine chloride[no description available]medium10quaternary ammonium salt
cardiovascular agents[no description available]medium30
ouabain[no description available]medium1011alpha-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
nitrates[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
2-naphthol[no description available]medium10naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
prazosin[no description available]medium21aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
brimonidine tartrate[no description available]medium10
apraclonidine[no description available]medium10dichlorobenzene;
guanidines;
imidazolines		alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug
latanoprost[no description available]medium20isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
quinoxalines[no description available]medium10mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
atrial natriuretic factor[no description available]medium32polypeptide
flosequinan[no description available]medium20quinolines
mibefradil[no description available]medium10tetralinsT-type calcium channel blocker
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
pyrazines[no description available]medium20diazine;
pyrazines		Daphnia magna metabolite
cidofovir anhydrous[no description available]medium20phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
cytosine[no description available]medium20aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
organophosphonates[no description available]medium20divalent inorganic anion;
phosphite ion
opc 21268[no description available]medium10
piperidines[no description available]medium10
denopamine[no description available]medium10dimethoxybenzene
carbostyril[no description available]medium10monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
sk&f-38393[no description available]medium40benzazepine;
catechols;
secondary amino compound
docarpamine[no description available]medium20organic molecular entity
cyclic gmp[no description available]medium113',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
c-peptide[no description available]medium11
lactic acid[no description available]medium112-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
dihydroxyphenylalanine[no description available]medium10hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
gamma-glutamyl dopa[no description available]medium10
amiloride[no description available]medium11aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
amiloride, hydrochlorothiazide drug combination[no description available]medium11
n-n-propyl-n-n-butyl-beta-dopamine[no description available]medium10
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
pargyline[no description available]medium10aromatic amine
3,4-dihydroxyphenylacetic acid[no description available]medium60catechols;
dihydroxyphenylacetic acid		human metabolite
isoflurophate[no description available]medium10dialkyl phosphate
methyldopa pivaloyloxyethyl ester[no description available]medium10
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
sulmazole[no description available]medium20imidazopyridine;
sulfoxide		adenosine A1 receptor antagonist;
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
pirbuterol[no description available]medium10pyridines
colforsin[no description available]medium10acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
practolol[no description available]medium10acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
alpha-aminopyridine[no description available]medium10
methylene blue[no description available]medium11organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
spironolactone[no description available]medium113-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
azepexole[no description available]medium10
chlorine[no description available]medium11halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
dinoprost[no description available]medium20monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
glucagon[no description available]medium11peptide hormone
pituitrin[no description available]medium10
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
homovanillic acid[no description available]medium40guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
indoramin[no description available]medium11tryptamines
iodohippuric acid[no description available]medium11benzamides;
N-acylglycine;
organoiodine compound
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
3-hydroxybenzyl alcohol[no description available]low00hydroxybenzyl alcohol;
phenols		metabolite
4-hydroxybenzyl alcohol[no description available]low00benzyl alcohols;
phenols		plant metabolite
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
4-vinylguaiacol[no description available]low00phenolsflavouring agent;
pheromone;
plant metabolite
4-hydroxyphenylglyoxylic acid[no description available]low00phenols
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
n-acetylserotonin[no description available]low00acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
4-hydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acid;
phenols		human metabolite
phenol[no description available]low00phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
vanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
8-hydroxy-2-(di-n-propylamino)tetralin[no description available]low00phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
vanilmandelic acid[no description available]low002-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
3-hydroxybenzylhydrazine[no description available]low00phenols
3-methoxytyramine[no description available]low00monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		biomarker;
human blood serum metabolite;
human urinary metabolite
4-hydroxybenzoic acid hydrazide[no description available]low00carbohydrazide;
phenols
3-hydroxy-4-methoxyphenethylamine[no description available]low00monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite
4-nonylphenol[no description available]low00phenolsenvironmental contaminant
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
capsaicin[no description available]low00methoxybenzenes;
phenols
chloroxylenol[no description available]low00monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
nonivamide[no description available]low00capsaicinoid;
phenols		lachrymator
dienestrol[no description available]low00olefinic compound;
phenols		xenoestrogen
edrophonium[no description available]low00phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
etilefrine[no description available]low00phenols
fluorescite[no description available]low00benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
formoterol fumarate[no description available]low00formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
ly 171883[no description available]low00acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
mesalamine[no description available]low00amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
norfenefrine[no description available]low00phenols
ns 1619[no description available]low00(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener
oxymetazoline[no description available]low00carboxamidine;
imidazolines;
phenols		alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
phenolphthalein[no description available]low00phenols
phenolsulfonphthalein[no description available]low002,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
Phenyliodoundecynoate[no description available]low00benzoate ester;
phenols
propofol[no description available]low00phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
psilocin[no description available]low00hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
raloxifene[no description available]low001-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
resorcinol monoacetate[no description available]low00phenols;
phenyl acetates		antibacterial agent;
dermatologic drug
salicylamide[no description available]low00phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
salmeterol xinafoate[no description available]low00ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
salicylsalicylic acid[no description available]low00benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
sb 202190[no description available]low00imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfobromophthalein[no description available]low002-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
triclosan[no description available]low00aromatic 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
estrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
17-desoxyestradiol[no description available]low003-hydroxy steroid;
phenolic steroid;
phenols		estrogen
n-methyl-4-aminophenol[no description available]low00phenolsallergen
isoamyl salicylate[no description available]low00benzoate ester;
phenols
glycol salicylate[no description available]low00phenols;
primary alcohol;
salicylates
2-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols
2-isopropylphenol[no description available]low00phenols
2-sec-butylphenol[no description available]low00phenols
thymol[no description available]low00monoterpenoid;
phenols		volatile oil component
2-ethylphenol[no description available]low00phenols
pyrogallol 1,3-dimethyl ether[no description available]low00dimethoxybenzene;
phenols		plant metabolite
acetyleugenol[no description available]low00benzoate ester;
phenols
creosol[no description available]low00methoxybenzenes;
phenols
synephrine[no description available]low00ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
propylparaben[no description available]low00benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
3,4-dimethylphenol[no description available]low00phenols
2,5-xylenol[no description available]low00phenolsanimal metabolite;
volatile oil component
2,4-di-tert-butylphenol[no description available]low00alkylbenzene;
phenols		antioxidant;
bacterial metabolite;
marine metabolite
sulfosalicylic acid[no description available]low00arenesulfonic acid;
benzoic acids;
phenols		metabolite
butylphen[no description available]low00phenolsallergen
4-isopropylphenol[no description available]low00phenolsflavouring agent
2,4-dimethylphenol[no description available]low00aromatic fungicide;
phenols		disinfectant;
volatile oil component
3,5-xylenol[no description available]low00phenolsxenobiotic metabolite
oxyphenisatin acetate[no description available]low00benzoate ester;
phenols
bromphenol blue[no description available]low002,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone		acid-base indicator;
dye;
two-colour indicator
phenyl salicylate[no description available]low00benzoate ester;
phenols;
salicylates		ultraviolet filter
homosalate[no description available]low00benzoate ester;
phenols
benzyl salicylate[no description available]low00benzoate ester;
phenols
2-ethylhexyl salicylate[no description available]low00benzoate ester;
phenols
2'-hydroxyacetophenone[no description available]low00monohydroxyacetophenone;
phenols		flavouring agent
3-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
ethyl vanillin[no description available]low00aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent
p-cresyl acetate[no description available]low00benzoate ester;
phenols
3-hydroxyanisole[no description available]low00monomethoxybenzene;
phenols
mequinol[no description available]low00methoxybenzenes;
phenols		metabolite
ethamivan[no description available]low00methoxybenzenes;
phenols
4-hydroxyphenyllactic acid[no description available]low002-hydroxy carboxylic acid;
phenols		bacterial metabolite;
human metabolite
topanol 354[no description available]low00methoxybenzenes;
phenols
carvacrol[no description available]low00botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
phloroglucinol dimethyl ether[no description available]low00methoxybenzenes;
phenols
4-hydroxyphenylethanol[no description available]low00phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
syringic acid[no description available]low00benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
methoxyhydroxyphenylglycol[no description available]low00methoxybenzenes;
phenols
paeonol[no description available]low00methoxybenzenes;
phenols		metabolite
2-hydroxyphenylacetic acid[no description available]low00hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite
2-hydroxyacetanilide[no description available]low00acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
3-ethylphenol[no description available]low00phenols
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
3-hydroxyacetanilide[no description available]low00acetamides;
phenols		non-narcotic analgesic
isovanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
4-Ethoxyphenol[no description available]low00aromatic ether;
phenols
bulbocapnine[no description available]low00aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
2-propylphenol[no description available]low00phenolsflavouring agent;
plant metabolite
4-cyanophenol[no description available]low00phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
2-(2'-hydroxyphenyl)benzoxazole[no description available]low001,3-benzoxazoles;
phenols		geroprotector
ethyl n-alpha-acetyl-tyrosinate[no description available]low00acetamides;
ethyl ester;
L-tyrosine derivative;
phenols
fenadiazole[no description available]low001,3,4-oxadiazoles;
biaryl;
phenols		sedative
amylmetacresol[no description available]low00phenolsantiseptic drug
4-chloro-2-cresol[no description available]low00monochlorobenzenes;
phenols
antimycin a[no description available]low00benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
isobarbaloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
dinoterb[no description available]low00C-nitro compound;
phenols
4-n-Butylphenol[no description available]low00phenols
2-allylphenol[no description available]low00phenolsantifungal agrochemical
4-octylphenol[no description available]low00phenolsmetabolite;
surfactant;
xenoestrogen
3-methoxy-4-hydroxyphenylethanol[no description available]low00methoxybenzenes;
phenols
acetosyringone[no description available]low00acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bis(4-oxyphenyl)sulfide[no description available]low00phenols
hydroxyphenytoin[no description available]low00imidazolidine-2,4-dione;
phenols		metabolite
2-(2-hydroxyphenyl)benzothiazole[no description available]low00benzothiazoles;
phenols		geroprotector
cue-lure[no description available]low00benzoate ester;
phenols
methyl vanillate[no description available]low00aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite
2-isopropoxyphenol[no description available]low00aromatic ether;
phenols
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
laurolitsine[no description available]low00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
4-n-Pentylphenol[no description available]low00phenols
zingerone[no description available]low00methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
4-ethylphenol[no description available]low00phenolsfungal xenobiotic metabolite
butylated hydroxytoluene[no description available]low00phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2,6-di-tert-butylphenol[no description available]low00alkylbenzene;
phenols		antioxidant
dimethophrine[no description available]low00methoxybenzenes;
phenols
4-vinyl-2,6-dimethoxyphenol[no description available]low00methoxybenzenes;
phenols
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
closantel[no description available]low00aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
fomesafen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
naxagolide[no description available]low00organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist
4-vinylphenol[no description available]low00phenolshuman urinary metabolite;
human xenobiotic metabolite
4-ethylguaiacol[no description available]low00methoxybenzenes;
phenols
nelfinavir[no description available]low00aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
salicylhydroxamic acid[no description available]low00hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
guaethol[no description available]low00aromatic ether;
phenols;
volatile organic compound		flavouring agent
cresatin[no description available]low00benzoate ester;
phenols
4-trifluoromethylphenol[no description available]low00(trifluoromethyl)benzenes;
phenols		drug metabolite;
marine xenobiotic metabolite
3-pentadecylphenol[no description available]low00phenols
chavicol[no description available]low00phenols;
phenylpropanoid
4-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite
2-hydroxy-4-methoxybenzaldehyde[no description available]low00methoxybenzenes;
phenols
methyl syringate[no description available]low00benzoate ester;
dimethoxybenzene;
phenols		plant metabolite
vanitiolide[no description available]low00methoxybenzenes;
phenols
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
rubrofusarin[no description available]low00aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
2,5-di-tert-butyl-4-hydroxyanisole[no description available]low00methoxybenzenes;
phenols
methyl gentisate[no description available]low00benzoate ester;
phenols
4-hydroxyindole[no description available]low00hydroxyindoles;
phenols
benzoyltyrosine ethyl ester[no description available]low00benzamides;
ethyl ester;
L-tyrosine derivative;
phenols		chromogenic compound
methyl 3-(4-hydroxyphenyl)propionate[no description available]low00methyl ester;
phenols		nitrification inhibitor;
plant growth regulator
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene[no description available]low00phenols
acetaminophen mercapturate[no description available]low00acetamides;
organic sulfide;
phenols;
S-substituted N-acetyl-L-cysteine		drug metabolite;
human urinary metabolite;
rat metabolite
adriamycinol[no description available]low00aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite
3-hydroxymandelic acid[no description available]low002-hydroxy monocarboxylic acid;
phenols		human metabolite
n-acetyltyrosine, (dl)-isomer[no description available]low00N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite
2-tyrosine[no description available]low00non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative
2-amino-5-chlorophenol[no description available]low00monochlorobenzenes;
phenols;
primary amino compound
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
alpha-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
laudanine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate
tyrphostin 8[no description available]low00phenols
4-hydroxymexiletine[no description available]low00aromatic ether;
phenols
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
gamma-glutamyltyrosine[no description available]low00dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide		human metabolite
6-paradol[no description available]low00ketone;
monomethoxybenzene;
phenols
2-hydroxy-5-methoxybenzaldehyde[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols
4-(4-hydroxyphenyl)-2-butanol[no description available]low00phenols
tetrangulol[no description available]low00p-quinones;
phenols;
tetraphenes		bacterial metabolite
terphenyllin[no description available]low00dimethoxybenzene;
para-terphenyl;
phenols		Aspergillus metabolite;
mycotoxin
2,3-bis(4-hydroxyphenyl)-propionitrile[no description available]low00nitrile;
phenols		estrogen receptor agonist
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid[no description available]low00dihydroxy monocarboxylic acid;
phenols		human urinary metabolite
sn 38[no description available]low00delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
ly 117018[no description available]low001-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols		bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator
5-hydroxypropafenone[no description available]low00phenols
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
3-chloro-4-hydroxyphenylacetic acid[no description available]low00hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols		mammalian metabolite
eseroline[no description available]low00phenols;
pyrroloindole		human xenobiotic metabolite;
opioid analgesic
hydrangenol[no description available]low00dihydroisocoumarins;
phenols		anti-allergic agent;
plant metabolite
maculosin[no description available]low00dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
2-o-methylpyrogallol[no description available]low00methoxybenzenes;
phenols
dopamine 3-o-sulfate[no description available]low00aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite
estriol-16 alpha-glucuronide[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
beta-D-glucosiduronic acid;
phenols;
steroid glucosiduronic acid		human urinary metabolite
emodin anthrone[no description available]low00anthracenone;
phenols		fungal metabolite
4'-demethylpodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
4'-demethylepipodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
dopamine 4-o-sulfate[no description available]low00aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite
rubimaillin[no description available]low00benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
desvenlafaxine[no description available]low00cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
tilivalline[no description available]low00indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine		bacterial metabolite;
microtubule-stabilising agent;
toxin
4-acetamidophenyl-2-thiophenecarboxylate[no description available]low00benzoate ester;
phenols
yakuchinone-a[no description available]low00ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
n-methylserotonin[no description available]low00phenols;
tryptamines		human metabolite;
plant metabolite
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
actinodaphine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor
sulochrin[no description available]low00benzophenones;
carboxylic ester;
phenols		metabolite
isohomovanillic acid[no description available]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
4-hydroxybenzyl isothiocyanate[no description available]low00phenols
4'-demethyldesoxypodophyllotoxin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
gingerdione[no description available]low00beta-diketone;
monomethoxybenzene;
phenols
etilefrine hydrochloride[no description available]low00phenols
8-gingerol[no description available]low00beta-hydroxy ketone;
monomethoxybenzene;
phenols
10-gingerol[no description available]low00beta-hydroxy ketone;
monomethoxybenzene;
phenols
pluviatolide[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite
nordihydrocapsaicin[no description available]low00methoxybenzenes;
phenols
erysodine[no description available]low00aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
isomhpg[no description available]low00methoxybenzenes;
phenols
rubrofusarin B[no description available]low00aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2,5-dihydroxybenzyl alcohol[no description available]low00aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite
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
deferasirox[no description available]low00benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
succinobucol[no description available]low00benzoate ester;
phenols
fonsecin[no description available]low00aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite
4-allyl-2,6-dimethoxyphenol[no description available]low00dimethoxybenzene;
phenols;
phenylpropanoid
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
4-(2-Amino-1,3-thiazol-4-yl)phenol[no description available]low00phenols
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene[no description available]low00benzoate ester;
phenols
maackiain[no description available]low00phenols;
pterocarpans
2-methoxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite
metoprolol tartrate[no description available]low00alcohol;
phenols
ferruginol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
abyssinone i[no description available]low00monohydroxyflavanone;
phenols		apoptosis inhibitor;
plant metabolite
abyssinone v[no description available]low004'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite
oxyacanthine[no description available]low00bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound
agnuside[no description available]low00benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
cleomiscosin a[no description available]low00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
sr 12813[no description available]low00organic phosphonate;
phenols		pregnane X receptor agonist
stigmatellin[no description available]low00aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
3-hydroxyhippuric acid[no description available]low00N-acylglycine;
phenols		metabolite
aclarubicin[no description available]low00aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
chavibetol[no description available]low00methoxybenzenes;
phenols
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
2-hydroxycinnamic acid[no description available]low002-coumaric acid;
phenols		antioxidant;
metabolite
2'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile[no description available]low00phenols
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one[no description available]low00methoxybenzenes;
phenols
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol[no description available]low00methoxybenzenes;
phenols
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol[no description available]low00methoxybenzenes;
phenols
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester[no description available]low00benzoate ester;
phenols
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester[no description available]low00benzoate ester;
phenols
zucapsaicin[no description available]low00methoxybenzenes;
phenols
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester[no description available]low00benzoate ester;
phenols
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester[no description available]low00benzoate ester;
phenols
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester[no description available]low00benzoate ester;
phenols
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester[no description available]low00methoxybenzenes;
phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester[no description available]low00methoxybenzenes;
phenols
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile[no description available]low00methoxybenzenes;
phenols
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester[no description available]low00benzoate ester;
phenols
monastrol[no description available]low00enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
dezocine[no description available]low00phenols;
primary amino compound		opioid analgesic
3-methoxy-4-hydroxyphenylglycol sulfate[no description available]low00alcohol;
phenols
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
4-hydroxyphenethylene glycol[no description available]low00phenols
5-hydroxybenzimidazole[no description available]low00benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester[no description available]low00benzoate ester;
phenols
n,o-didesmethylvenlafaxine[no description available]low00cyclohexanols;
phenols;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]low00benzoate ester;
phenols
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester[no description available]low00benzoate ester;
phenols
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester[no description available]low00benzoate ester;
phenols
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole[no description available]low00phenols;
pyrazoles		estrogen receptor agonist
6-iodonordihydrocapsaicin[no description available]low00methoxybenzenes;
phenols
3-(4-hydroxyphenyl)-1-propane[no description available]low004-hydroxycinnamyl alcohol;
phenols;
phenylpropanoid		monolignol
sinapaldehyde[no description available]low00cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
mycophenolate mofetil[no description available]low00carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
isobutrin[no description available]low00beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
mangostin[no description available]low00aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
swerchirin[no description available]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
4-hydroxychalcone[no description available]low00chalcones;
phenols		antihypertensive agent;
plant metabolite
4'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent
olvanil[no description available]low00methoxybenzenes;
phenols
n-cinnamoyltyramine[no description available]low00cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor
methyl brevifolincarboxylate[no description available]low00cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent
3-deoxysappanchalcone[no description available]low00chalcones;
monomethoxybenzene;
phenols		metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
alpha-cyano-4-hydroxycinnamic acid[no description available]low00monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
lichexanthone[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
alternariol[no description available]low00benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
sorbicillin[no description available]low00phenols
decussatin[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
gamma-mangostin[no description available]low00phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
flavasperone[no description available]low00aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite
su 1498[no description available]low00enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide		vascular endothelial growth factor receptor antagonist
n-feruloylserotonin[no description available]low00aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
eupomatenoid 6[no description available]low00benzofurans;
phenols		anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin[no description available]low00organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist
monorden[no description available]low00cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
cefatrizine[no description available]low00amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
(8)-shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
(10)-shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
arvanil[no description available]low00methoxybenzenes;
phenols
ro 25-6981[no description available]low00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
3-tyrosine[no description available]low00hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols		plant metabolite
camostat[no description available]low00aromatic ether;
phenols
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
topopyrone c[no description available]low00naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
estin[no description available]low001-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols		Aspergillus metabolite;
Penicillium metabolite
mdl 105725[no description available]low00methoxybenzenes;
phenols
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
nidulalin a[no description available]low00methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite
hypothemycin[no description available]low00aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite
vernakalant[no description available]low00alcohol;
phenols
elloramycin[no description available]low00alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite
arachidonoylserotonin[no description available]low00N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule
avenanthramide b[no description available]low00amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin
vilanterol[no description available]low00benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
lactonamycin[no description available]low00gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite
nigerloxin[no description available]low00aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
cardanol[no description available]low00phenols
glyceryl ferulate[no description available]low001-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
10-isobutyryloxy-8,9-epoxythymol isobutyrate[no description available]low00benzoate ester;
phenols
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
alloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
1-O-feruloyl-beta-D-glucose[no description available]low00aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite
ligstroside[no description available]low00beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite
shamixanthone[no description available]low00cyclic ketone;
phenols;
pyranoxanthene		metabolite
siphonazole[no description available]low00methoxybenzenes;
phenols
vx-770[no description available]low00aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol[no description available]low00phenols
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone[no description available]low00methoxybenzenes;
phenols
respirantin[no description available]low00benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde[no description available]low00alcohol;
phenols
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
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
n-trans-feruloyloctopamine[no description available]low00methoxybenzenes;
phenols
marinopyrrole a[no description available]low00aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
chondramide c[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
debromoaplysiatoxin[no description available]low00aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde[no description available]low001-benzofurans;
aldehyde;
phenols		Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one[no description available]low00diarylheptanoid;
ketone;
phenols		plant metabolite
hordatine a[no description available]low00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
chondramide a[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
quinolobactin[no description available]low00aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore
ilicicolin h[no description available]low00aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor
naloxegol[no description available]low00aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist
fertaric acid[no description available]low00aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative
callipeltin a[no description available]low00cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite
opt 80[no description available]low00carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols		antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
brasilicardin a[no description available]low00benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent
ML355[no description available]low00benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
acarbose[no description available]low00chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite
pf-06687252[no description available]low00azabicycloalkane;
enone;
phenols;
pyridines
chondramide d[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
biliatresone[no description available]low00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
can 508[no description available]low00aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
nu 1025[no description available]low00phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
quininib[no description available]low00phenols;
styrylquinoline		angiogenesis inhibitor
pp242[no description available]low00aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor
dehydroluciferin[no description available]low001,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols		animal metabolite;
luciferin
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
tilimycin[no description available]low00phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin
digallic acid[no description available]low00benzoate ester;
gallate ester
mdl 72222[no description available]low00benzoate ester
benfluorex[no description available]low00benzoate ester
benzocaine[no description available]low00benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
benzyl benzoate[no description available]low00benzoate ester;
benzyl ester		acaricide;
plant metabolite;
scabicide
butacaine[no description available]low00benzoate ester
butamben[no description available]low00amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
camostat[no description available]low00benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
dilazep[no description available]low00benzoate ester;
diazepane;
diester;
methoxybenzenes		cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent
ethyl piperidinoacetylaminobenzoate[no description available]low00benzoate ester;
piperidines
gabexate[no description available]low00benzoate ester
benzoic acid [2-methyl-2-(propylamino)propyl] ester[no description available]low00benzoate ester
benoxinate[no description available]low00amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic
proxymetacaine[no description available]low00benzoate ester
butyl phthalyl butyl glycolate[no description available]low00benzoate ester
methyl n-methylanthranilate[no description available]low00benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
propoxycaine[no description available]low00benzoate ester
Ethyl 2-aminobenzoate[no description available]low00benzoate ester
methyl benzoate[no description available]low00benzoate ester;
methyl ester		insect attractant;
metabolite
ethyl benzoate[no description available]low00benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component
diphenylcarboxylate[no description available]low00benzoate ester
dimethocaine[no description available]low00benzoate ester
benzylparaben[no description available]low00benzoate ester;
benzyl ester
parethoxycaine[no description available]low00benzoate ester
benzonatate[no description available]low00benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
methyl 4-anisate[no description available]low00benzoate ester;
monomethoxybenzene
deserpidine[no description available]low00alkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
chloroprocaine[no description available]low00benzoate ester;
monochlorobenzenes		central nervous system depressant;
local anaesthetic;
peripheral nervous system drug
2-Phenylethyl 2-aminobenzoate[no description available]low00benzoate ester
methyl anthranilate[no description available]low00benzoate esterflavouring agent;
metabolite
resorcinol monobenzoate[no description available]low00benzoate esterallergen
tetrracaine hydrochloride[no description available]low00benzoate ester
amylocaine[no description available]low00benzoate ester
hexylcaine[no description available]low00benzoate ester
piperocaine[no description available]low00benzoate ester
cyclomethycaine[no description available]low00benzoate ester
benzoylcholine[no description available]low00benzoate ester
propyl benzoate[no description available]low00benzoate esterantimicrobial food preservative;
flavouring agent;
plant metabolite
tri-(2-ethylhexyl)trimellitate[no description available]low00benzoate ester
metabutoxycaine[no description available]low00benzoate ester
hexyl salicylate[no description available]low00benzoate ester
2-Propenyl 2-aminobenzoate[no description available]low00benzoate ester
ethyl 4-dimethylaminobenzoate[no description available]low00benzoate ester;
ethyl ester;
tertiary amino compound
padimate-o[no description available]low00benzoate ester
etofenamate[no description available]low00benzoate ester
2-aminosulfonyl-benzoic acid methyl ester[no description available]low00benzoate ester;
methyl ester;
sulfonamide		marine xenobiotic metabolite
bopindolol[no description available]low00aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
sulfometuron methyl[no description available]low00benzoate ester;
N-sulfonylurea;
pyrimidines		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
metsulfuron methyl[no description available]low001,3,5-triazines;
benzoate ester;
N-sulfonylurea		environmental contaminant;
herbicide;
xenobiotic
baccatin iii[no description available]low00acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite
benzoylmetronidazole[no description available]low00benzoate esterantibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
prodrug
isoamyl 4-n,n-dimethylaminobenzoate[no description available]low00benzoate ester
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate[no description available]low00aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
lecanoric acid[no description available]low00benzoate ester
Meprylcaine hydrochloride[no description available]low00benzoate ester
8-hydroxynorcocaine[no description available]low00benzoate ester
estradiol 3-benzoate[no description available]low0017beta-hydroxy steroid;
benzoate ester		estrogen receptor agonist;
xenoestrogen
cochlearine[no description available]low00benzoate ester
benzoylecgonine[no description available]low00benzoate ester;
tropane alkaloid		epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
4-[2-(4-methoxycarbonylphenyl)iminohydrazinyl]benzoic acid methyl ester[no description available]low00benzoate ester
cocaethylene[no description available]low00benzoate ester
norcocaine[no description available]low00benzoate ester
2,4-dichlorobenzoic acid 1,2,4-triazol-1-ylmethyl ester[no description available]low00benzoate ester
4-[[[[8-[(1-tert-butyl-5-tetrazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester[no description available]low00benzoate ester
Methyl 2-[(methylsulfonyl)amino]benzoate[no description available]low00benzoate ester
4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
4-[[[2-(3-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester[no description available]low00benzoate ester
4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester[no description available]low00benzoate ester
4-[[(cyclohexylamino)-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[(4-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[[(2-methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
4-[[1-azepanyl(oxo)methyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
2-[[(4-methyl-1-pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester[no description available]low00benzoate ester
4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester[no description available]low00benzoate ester
3-[[oxo-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methoxy]methyl]benzoic acid ethyl ester[no description available]low00benzoate ester
4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
4-(5-formyl-2-furanyl)benzoic acid propyl ester[no description available]low00benzoate ester
4-[[(3,4-dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester[no description available]low00benzoate ester
4-(dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester[no description available]low00benzoate ester
2-[4-(difluoromethylthio)anilino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester[no description available]low00benzoate ester
3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester[no description available]low00benzoate ester
4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester[no description available]low00benzoate ester
4-[[[(2-methoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
3-(dimethylamino)propyl benzoate[no description available]low00benzoate ester
2,4-difluorobenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
4-(diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester[no description available]low00benzoate ester
4-methylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester[no description available]low00benzoate ester
2-ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester[no description available]low00benzoate ester
4-(dimethylamino)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
2-(2-furanylmethylamino)benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester[no description available]low00benzoate ester
4-(dimethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
3,4-diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester[no description available]low00benzoate ester
3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester[no description available]low00benzoate ester
2-(butylamino)benzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester[no description available]low00benzoate ester
3-(diethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester[no description available]low00benzoate ester
4-(diethylsulfamoyl)benzoic acid 1,3-benzodioxol-5-yl ester[no description available]low00benzoate ester
3-(methanesulfonamido)benzoic acid methyl ester[no description available]low00benzoate ester
ethyl 3-amino-4-(methylamino)benzoate[no description available]low00benzoate ester
3-amino-4-chlorobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester[no description available]low00benzoate ester
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid thiophen-2-ylmethyl ester[no description available]low00benzoate ester
2-amino-4-chlorobenzoic acid [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester[no description available]low00benzoate ester
2,6-difluorobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester[no description available]low00benzoate ester
3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
bentiamine[no description available]low00benzoate ester
3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester[no description available]low00benzoate ester
4-[2-(cyclohexylamino)-2-oxo-1-[(1-oxo-2-thiophen-2-ylethyl)-(phenylmethyl)amino]ethyl]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[(2,3-dihydro-1H-inden-1-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
3,4-dimethylbenzoic acid (6-methyl-3-pyridinyl) ester[no description available]low00benzoate ester
benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester[no description available]low00benzoate ester;
pyranopyrazole
4-chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester[no description available]low00benzoate ester
4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[[2-(4-methoxyphenyl)-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
4-(carbamoylamino)benzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester[no description available]low00benzoate ester
2-(2-furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester[no description available]low00benzoate ester
3-pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester[no description available]low00benzoate ester
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester[no description available]low00benzoate ester
4-ethylbenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]low00benzoate ester
4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
cinnamyl anthranilate[no description available]low00benzoate ester
gabexate methanesulfonate[no description available]low00benzoate ester;
guanidines;
methanesulfonate salt
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
paeonilide[no description available]low00benzoate estermetabolite
butafenacil[no description available]low00benzoate ester;
diester;
monochlorobenzenes;
olefinic compound;
organofluorine compound		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4-[3-(2-furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester[no description available]low00benzoate ester
2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester[no description available]low00benzoate ester
4-[[4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl]benzoic acid methyl ester[no description available]low00benzoate ester
4-[[[2-(1-azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester[no description available]low00benzoate ester
2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester[no description available]low00benzoate ester
benzoylaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
deoxyaconitine[no description available]low00acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite
benzoylmesaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
albiflorin[no description available]low00benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol		neuroprotective agent;
plant metabolite
brartemicin[no description available]low00benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite
armillaridin[no description available]low00benzoate ester;
sesquiterpenoid
paeoniflorigenone[no description available]low00alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid		neuromuscular agent;
plant metabolite
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester[no description available]low00benzoate ester
ConditionIndicatedRelationship StrengthStudiesTrials
Acromegaly0low10
Acute Kidney Failure0medium11
Acute Kidney Injury0medium11
Acute Kidney Insufficiency0medium11
Acute Renal Failure0medium11
Acute Renal Injury0medium11
Acute Renal Insufficiency0medium11
Addiction, Opioid0low10
AIDS-Related Opportunistic Infections0low20
Anasarca0low10
Anesthesia0low40
Angina Pectoris0medium42
Angor Pectoris0medium42
Anovulation0low10
ANS (Autonomic Nervous System) Diseases0low10
ANS Diseases0low10
Aortic Stenosis0low10
Aortic Valve Stenosis0low10
Arrhythmia0medium106
Arrhythmias, Cardiac0medium106
Arrythmia0medium106
Atrial Fibrillation0low10
Auricular Fibrillation0low10
Autoimmune Diabetes0medium11
Autonomic Central Nervous System Diseases0low10
Autonomic Diseases0low10
Autonomic Nervous System Diseases0low10
Autonomic Nervous System Disorders0low10
Autonomic Peripheral Nervous System Diseases0low10
Bacterial Eye Infections0low10
Bacterial Ocular Infections0low10
Bewilderment0low10
Blood Pressure, High0low30
Blood Pressure, Low0low20
Body Weight0medium52
Bright Disease0medium21
Cardiac Arrhythmia0medium106
Cardiac Arrhythmias0medium106
Cardiac Complex, Premature0medium22
Cardiac Complexes, Premature0medium22
Cardiac Diseases0low20
Cardiac Disorders0low20
Cardiac Dysrhythmia0medium106
Cardiac Failure0medium14951
Cardiac Hypertrophy0low10
Cardiac Output, Low0medium21
Cardiomegaly0low10
Cardiomyopathies0medium31
Cardiomyopathies, Primary0medium31
Cardiomyopathies, Secondary0medium31
Cardiomyopathy, Congestive0medium83
Cardiomyopathy, Dilated0medium83
Cardiomyopathy, Dilated, 1a0medium83
Cardiomyopathy, Dilated, Autosomal Recessive0medium83
Cardiomyopathy, Dilated, CMD1A0medium83
Cardiomyopathy, Dilated, LMNA0medium83
Cardiomyopathy, Dilated, With Conduction Defect 10medium83
Cardiomyopathy, Dilated, with Conduction Deffect10medium83
Cardiomyopathy, Familial Idiopathic0medium83
Cardiomyopathy, Idiopathic Dilated0medium83
Cardiovascular Stroke0medium81
Central Autonomic Nervous System Diseases0low10
Chloasma0low10
Chronic Disease0medium209
Chronic Fatigue and Immune Dysfunction Syndrome0low10
Chronic Fatigue Disorder0low10
Chronic Fatigue Syndrome0low10
Chronic Fatigue-Fibromyalgia Syndrome0low10
Chronic Illness0medium209
Chronic Kidney Failure0medium112
Chronic Primary Open Angle Glaucoma0medium153
Chronically Ill0medium209
Cirrhosis, Liver0medium42
Complication, Postoperative0low20
Confusion0low10
Confusion, Post-Ictal0low10
Confusion, Reactive0low10
Confusional State0low10
Congestive Cardiomyopathy0medium83
Congestive Heart Failure0medium14951
Cor Pulmonale0low10
Corneal Diseases0low10
Coronary Disease0medium52
Coronary Heart Disease0medium52
Cytomegaloviral Retinitis0low20
Cytomegalovirus Retinitis0low20
Decerebrate Posturing0low10
Decerebrate State0low10
Decorticate Rigidity0low10
Decorticate State0low10
Dependence, Opioid0low10
Diabetes Mellitus, Adult-Onset0medium11
Diabetes Mellitus, Brittle0medium11
Diabetes Mellitus, Insulin-Dependent0medium11
Diabetes Mellitus, Insulin-Dependent, 10medium11
Diabetes Mellitus, Juvenile-Onset0medium11
Diabetes Mellitus, Ketosis-Prone0medium11
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, Sudden-Onset0medium11
Diabetes Mellitus, Type 10medium11
Diabetes Mellitus, Type 20medium11
Diabetes Mellitus, Type I0medium11
Diabetes Mellitus, Type II0medium11
Diabetes, Autoimmune0medium11
Dilated Cardiomyopathy0medium83
Disease Exacerbation0medium65
Disease Models, Animal0low50
Disease Progression0medium65
Disease, Pulmonary Heart0low10
Diseases, Pulmonary Heart0low10
Disorders of the Autonomic Nervous System0low10
Disorientation0low10
Dropsy0low10
Ectopic Heartbeats0medium22
Edema0low10
Electrolytes0medium42
Encephalomyelitis, Myalgic0low10
End-Stage Kidney Disease0medium112
End-Stage Renal Disease0medium112
Enlarged Heart0low10
ESRD0medium112
Exfoliation Glaucoma0low10
Exfoliation Syndrome0low10
Exfoliative Syndrome0low10
Extrasystole0medium22
Extrasystoles0medium22
Eye Diseases0medium11
Eye Disorders0medium11
Eye Infections, Bacterial0low10
Eye Injuries, Penetrating0medium21
Familial Atrial Fibrillation0low10
Fatigue Syndrome, Chronic0low10
Fatigue Syndrome, Postviral0low10
Fibrosis, Liver0medium42
Freckles0low10
Glaucoma0medium42
Glaucoma Capsulare0low10
Glaucoma Simplex0medium153
Glaucoma, Compensated0medium153
Glaucoma, Compensative0medium153
Glaucoma, Open Angle0medium153
Glaucoma, Open-Angle0medium153
Glaucoma, Pigmentary0medium153
Glaucoma, Primary Open Angle0medium153
Glaucoma, Secondary Open Angle0medium153
Glaucoma, Simple0medium153
Glaucoma, Suspect0medium72
Glomerulonephritis0medium21
Granuloma, Hodgkin0low10
Granuloma, Hodgkin's0low10
Granuloma, Hodgkins0low10
Granuloma, Malignant0low10
Heart Attack0medium81
Heart Decompensation0medium14951
Heart Disease, Ischemic0medium11
Heart Disease, Pulmonary0low10
Heart Diseases0low20
Heart Diseases, Pulmonary0low10
Heart Disorders0low20
Heart Enlargement0low10
Heart Failure0medium14951
Heart Failure, Congestive0medium14951
Heart Failure, Left-Sided0medium14951
Heart Failure, Right-Sided0medium14951
Heart Hypertrophy0low10
Heart Valve Diseases0low10
Heart Valvular Disease0low10
Hepatic Cirrhosis0medium42
HIV-Related Opportunistic Infections0low20
Hodgkin Disease0low10
Hodgkin Lymphoma0low10
Hodgkin Lymphoma, Adult0low10
Hodgkin's Disease0low10
Hodgkin's Lymphoma0low10
Hodgkins Disease0low10
Hydrops0low10
Hyperprolactinaemia0low10
Hyperprolactinemia0low10
Hypertension0low30
Hypertension, Ocular0medium72
Hypertension, Pulmonary0low10
Hypotension0low20
Hypotension, Orthostatic0low10
Hypotension, Postural0low10
Hypotension, Vascular0low20
IDDM0medium11
Inappropriate GH Secretion Syndrome (Acromegaly)0low10
Inappropriate Growth Hormone Secretion Syndrome (Acromegaly)0low10
Inappropriate Prolactin Secretion0low10
Inappropriate Prolactin Secretion Syndrome0low10
Infections, Bacterial Eye0low10
Infections, Bacterial Ocular0low10
Infectious Mononucleosis-Like Syndrome, Chronic0low10
Injuries, Penetrating Eye0medium21
Insulin Resistance0medium11
Insulin Sensitivity0medium11
Insulin-Dependent Diabetes Mellitus 10medium11
Interstitial Nephritis0medium21
Intraocular Pressure0medium257
Ischemia, Myocardial0medium11
Ischemic Heart Disease0medium11
Juvenile-Onset Diabetes0medium11
Keratitis0low10
Kidney Failure, Acute0medium11
Kidney Failure, Chronic0medium112
Kidney Insufficiency, Acute0medium11
Kidney Scarring0medium21
Kidney, Polycystic0low10
Left Ventricular Dysfunction0medium21
Left-Sided Heart Failure0medium14951
Leukocytopenia0low10
Leukopenia0low10
Liver Cirrhosis0medium42
Liver Fibrosis0medium42
Low Blood Pressure0low20
Low Cardiac Output0medium21
Low Cardiac Output Syndrome0medium21
Lung Diseases, Obstructive0low10
Lymphocyte Depletion Hodgkin's Lymphoma0low10
Lymphocyte-Rich Classical Hodgkin's Lymphoma0low10
Lymphogranuloma, Malignant0low10
Maturity-Onset Diabetes0medium11
Maturity-Onset Diabetes Mellitus0medium11
Melanism0low10
Melanosis0low10
Melasma0low10
Mitral Incompetence0medium21
Mitral Insufficiency0medium21
Mitral Regurgitation0medium21
Mitral Valve Incompetence0medium21
Mitral Valve Insufficiency0medium21
Mitral Valve Regurgitation0medium21
Mixed Cellularity Hodgkin's Lymphoma0low10
MODY0medium11
Muscle Contraction0low10
Muscle Relaxation0low10
Myalgic Encephalomyelitis0low10
Myocardial Diseases0medium31
Myocardial Diseases, Primary0medium31
Myocardial Diseases, Secondary0medium31
Myocardial Failure0medium14951
Myocardial Infarct0medium81
Myocardial Infarction0medium81
Myocardial Ischemia0medium11
Myocardiopathies0medium31
Necrotizing Pyelonephritis0medium11
Nephritis, Interstitial0medium21
Nephritis, Tubulointerstitial0medium21
Nervous System Diseases, Autonomic0low10
Nervous System Diseases, Parasympathetic0low10
Nervous System Diseases, Sympathetic0low10
NIDDM0medium11
Nodular Lymphocyte-Predominant Hodgkin's Lymphoma0low10
Nodular Sclerosing Hodgkin's Lymphoma0low10
Noninsulin-Dependent Diabetes Mellitus0medium11
Obstructive Lung Diseases0low10
Obstructive Pulmonary Diseases0low10
Ocular Hypertension0medium72
Ocular Hypotension0medium71
Ocular Hypotony0medium71
Ocular Infections, Bacterial0low10
Open-Angle Glaucoma0medium153
Opiate Abuse0low10
Opiate Addiction0low10
Opiate Dependence0low10
Opioid Abuse0low10
Opioid Addiction0low10
Opioid Dependence0low10
Opioid Misuse0low10
Opioid Use Disorder0low10
Opioid-Related Disorders0low10
Opportunistic Infections, AIDS-Related0low20
Opportunistic Infections, HIV-Related0low20
Orthostatic Hypotension0low10
Parasite Infections0low10
Parasitic Diseases0low10
Parasitic Infections0low10
Parasympathetic Nervous System Diseases0low10
Paroxysmal Atrial Fibrillation0low10
Penetrating Eye Injuries0medium21
Peripheral Autonomic Nervous System Diseases0low10
Persistent Atrial Fibrillation0low10
Polycystic Kidney0low10
Polycystic Kidney Disease0low10
Polycystic Kidney Diseases0low10
Polycystic Kidneys0low10
Polycystic Renal Disease0low10
Postoperative Complications0low20
Postviral Fatigue Syndrome0low10
Premature Beats0medium22
Premature Cardiac Complex0medium22
Premature Cardiac Complexes0medium22
Prescription Opioid Abuse0low10
Prescription Opioid Misuse0low10
Primary Myocardial Diseases0medium31
Primary Open Angle Glaucoma0medium153
Prolactin Hypersecretion Syndrome0low10
Prolactin, Inappropriate Secretion0low10
Prosthesis Durability0low10
Prosthesis Failure0low10
Prosthesis Loosening0low10
Prosthesis Migration0low10
Prosthesis Survival0low10
Pseudo-Exfoliation Syndrome0low10
Pseudoexfoliation Of The Lens0low10
Pseudoexfoliation Syndrome0low10
Pulmonary Heart Disease0low10
Pulmonary Heart Diseases0low10
Pulmonary Hypertension0low10
Pyelonephritis0medium11
Pyelonephritis, Acute Necrotizing0medium11
Renal Disease, End-Stage0medium112
Renal Failure, Acute0medium11
Renal Failure, Chronic0medium112
Renal Failure, End-Stage0medium112
Renal Insufficiency, Acute0medium11
Retinal Detachment0low10
Retinal Diseases0low10
Retinal Pigment Epithelial Detachment0low10
Retinitis, Cytomegalovirus0low20
Right-Sided Heart Failure0medium14951
Rigidity, Decerebrate0low10
Rigidity, Decorticate0low10
Royal Free Disease0low10
Secondary Myocardial Diseases0medium31
Secondary Open Angle Glaucoma0medium153
Segmental Autonomic Dysfunction0low10
Sensitivity and Specificity0low40
Somatotropin Hypersecretion Syndrome (Acromegaly)0low10
Stenocardia0medium42
Sympathetic Nervous System Diseases0low10
Systemic Exertion Intolerance Disease0low10
Tachyarrhythmia0medium31
Tachycardia0medium31
Thromboembolism0medium11
Tubulointerstitial Nephritis0medium21
Type 1 Diabetes0medium11
Type 1 Diabetes Mellitus0medium11
Type 2 Diabetes0medium11
Type 2 Diabetes Mellitus0medium11
Uveitis0medium31
Uveitis, Anterior0low30
Valvular Heart Diseases0low10
Vascular Hypotension0low20
Ventricular Dysfunction, Left0medium21

Research Highlights

Safety/Toxicity (3)

ArticleYear
Safety of ibopamine in type II diabetic patients with mild chronic heart failure. A double-blind cross-over study.
Cardiology, Volume: 77 Suppl 5		1990
The safety profile of ibopamine, an alternative substance for treatment of chronic heart failure.
Cardiology, Volume: 77 Suppl 5		1990
Safety of ibopamine therapy in congestive heart failure. Ibopamine cohort study: baseline and 1-year results.
Arzneimittel-Forschung, Volume: 41, Issue: 4		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (4)

ArticleYear
Lack of desensitization of alpha- and beta-adrenoceptor function during chronic treatment of healthy volunteers with ibopamine, an orally active dopamine receptor agonist.
European journal of clinical pharmacology, Volume: 44, Issue: 3		1993
The effects of ibopamine on glomerular filtration rate and plasma norepinephrine remain preserved during prolonged treatment in patients with congestive heart failure.
European heart journal, Volume: 16, Issue: 7		1995
Hemodynamic evaluation during exercise test after acute and chronic ibopamine treatment in patients with congestive heart failure.
Arzneimittel-Forschung, Volume: 36, Issue: 2A		1986
Hemodynamic and neurohumoral effects of ibopamine in patients with chronic congestive heart failure.
Cardiology, Volume: 77 Suppl 5		1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (11)

ArticleYear
Ocular pharmacokinetics and pharmacodynamics in rabbits of ibopamine, a new mydriatic agent.
Experimental eye research, Volume: 56, Issue: 2		1993
Acute effect of ibopamine and isosorbide mononitrate on blood volume distribution in congestive heart failure.
European journal of clinical pharmacology, Volume: 47, Issue: 4		1994
Evaluation of acute hemodynamic effects and pharmacokinetic behaviour of ibopamine in patients with severe heart failure.
Arzneimittel-Forschung, Volume: 36, Issue: 2A		1986
Ibopamine, an orally active dopamine-like drug: metabolism and pharmacokinetics in rats.
Arzneimittel-Forschung, Volume: 36, Issue: 2A		1986
Ibopamine (SK&F 100168) pharmacokinetics in relation to the timing of meals.
British journal of clinical pharmacology, Volume: 23, Issue: 5		1987
Pharmacokinetics of ibopamine in patients with renal impairment.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 2		1988
Pharmacokinetics and pharmacodynamics of single oral doses of ibopamine, quinidine and their combination in normal man.
European journal of clinical pharmacology, Volume: 34, Issue: 4		1988
Clinical pharmacokinetics of ibopamine on different diseases and conditions.
Arzneimittel-Forschung, Volume: 38, Issue: 8		1988
Pharmacokinetic and pharmacodynamic interactions between single oral doses of ibopamine and food in normal man.
Arzneimittel-Forschung, Volume: 39, Issue: 9		1989
Hemodynamic effects and pharmacokinetics of long-term therapy with ibopamine in patients with chronic heart failure.
Cardiology, Volume: 80, Issue: 5-6		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (3)

ArticleYear
Ocular pharmacokinetics and pharmacodynamics in rabbits of ibopamine, a new mydriatic agent.
Experimental eye research, Volume: 56, Issue: 2		1993
Study of the bioequivalence of three oral formulations of ibopamine in healthy volunteers.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 10		1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (24)

ArticleYear
Comparative study of the effects of 2% ibopamine, 10% phenylephrine, and 1% tropicamide on the anterior segment.
Investigative ophthalmology & visual science, Volume: 44, Issue: 1		2003
Low-dosage ibopamine treatment in progressive renal failure: a long-term multicentre trial.
American journal of nephrology, Volume: 16, Issue: 6		1996
Hemodynamic evaluation during exercise test after acute and chronic ibopamine treatment in patients with congestive heart failure.
Arzneimittel-Forschung, Volume: 36, Issue: 2A		1986
The diisobutyryl ester of N-methyldopamine, ibopamine: evaluation of electrophysiological properties and arrhythmogenicity studies.
Arzneimittel-Forschung, Volume: 36, Issue: 2A		1986
Ibopamine (SK&F 100168) pharmacokinetics in relation to the timing of meals.
British journal of clinical pharmacology, Volume: 23, Issue: 5		1987
Acute effects of ibopamine hydrochloride on hemodynamics, plasma catecholamine levels, renin activity, aldosterone, metabolism and blood gas in patients with severe congestive heart failure.
Arzneimittel-Forschung, Volume: 36, Issue: 12		1986
Pharmacokinetics of ibopamine in patients with renal impairment.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 2		1988
Ibopamine kinetics after a single oral dose in patients with congestive heart failure.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 2		1988
Systemic and coronary hemodynamic actions of the novel inotropic agent, ibopamine, and the de-esterified metabolite and active form, epinine: relationship to left ventricular performance in the dog.
The Journal of pharmacology and experimental therapeutics, Volume: 246, Issue: 2		1988
Pharmacokinetics and pharmacodynamics of single oral doses of ibopamine, quinidine and their combination in normal man.
European journal of clinical pharmacology, Volume: 34, Issue: 4		1988
Ibopamine kinetics after single and multiple dosing in patients with congestive heart failure.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 11		1988
Effects of ibopamine in combination with furosemide on renal function in patients with chronic congestive heart failure.
International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 7		1988
Clinical pharmacokinetics of ibopamine on different diseases and conditions.
Arzneimittel-Forschung, Volume: 38, Issue: 8		1988
Comparison of the effects of the novel inotropic agent, ibopamine, with epinine, dopamine and fenoldopam on renal vascular dopamine receptors in the anesthetized dog.
The Journal of pharmacology and experimental therapeutics, Volume: 242, Issue: 2		1987
Pharmacokinetic and pharmacodynamic interactions between single oral doses of ibopamine and food in normal man.
Arzneimittel-Forschung, Volume: 39, Issue: 9		1989
Clinical relevance of long-term therapy with levodopa and orally active dopamine analogues in patients with chronic congestive heart failure.
Basic research in cardiology, Volume: 84 Suppl 1		1989
Ibopamine vs. digoxin in chronic heart failure: a double-blind, crossover study.
Journal of cardiovascular pharmacology, Volume: 14 Suppl 8		1989
Efficacy of ibopamine treatment in patients with advanced heart failure: purpose of a new therapeutic scheme with multiple daily administrations.
Journal of cardiovascular pharmacology, Volume: 14 Suppl 8		1989
Safety of ibopamine in type II diabetic patients with mild chronic heart failure. A double-blind cross-over study.
Cardiology, Volume: 77 Suppl 5		1990
[Ibopamine--pharmacologic principles].
Zeitschrift fur Kardiologie, Volume: 80 Suppl 8		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]