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eprosartan

Description

eprosartan: angiotensin II receptor antagonist [MeSH]

eprosartan : A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure. [CHeBI]

Cross-References

ID SourceID
PubMed CID5281037
CHEMBL ID813
SCHEMBL ID4025
CHEBI ID4814
CHEBI ID94094
MeSH IDM0187027

Synonyms (78)

Synonym
BIDD:GT0030
STK618317
4-({2-butyl-5-[(1e)-2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl]-1h-imidazol-1-yl}methyl)benzoic acid
AKOS005552473
eprozar
gtpl588
sk&f-108566
teveten
4-({2-butyl-5-[(1e)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1h-imidazol-1-yl}methyl)benzoic acid
D04040
eprosartan (usan/inn)
C07467
eprosartan
133040-01-4
DB00876
(e)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1h-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
(e)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid
(e)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1h-imidazole-5-yl]methylene}-2-thiopheneproprionic acid
NCGC00164557-01
2-thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-lh-imidazol-5-yl)methylene)-, (e)-
sk&f 108566
CHEBI:4814 ,
HMS2089O10
sk-108566
CHEMBL813 ,
L000248
bdbm50011977
4-[[2-butyl-5-[(e)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid
eprosartan [usan:inn:ban]
hsdb 7521
unii-2kh13z0s0y
2kh13z0s0y ,
BCP9000656
BCPP000239
eprosartan [inn]
eprosartan [hsdb]
eprosartan [mi]
2-thiophenepropanoic acid, .alpha.-((2-butyl-1-((4-carboxyphenyl)methyl)-lh-imidazol-5-yl)methylene)-, (e)-
(e)-2-butyl-1-(p-carboxybenzyl)-.alpha.-2-thenylimidazole-5-acrylic acid
eprosartan [usan]
eprosartan [vandf]
eprosartan [who-dd]
[3h]-eprosartan
[3h]eprosartan
gtpl3940
[3h]sk&f 108566
BRD-K67977190-066-01-5
SCHEMBL4025
AB01275448-01
(e)-alpha-[[2-butyl-1-[(4carboxyphenyl)methyl]-1h-imidazol-5-yl]methylene]-2-thiophene propanoic acid
(e)-alpha-[[2-butyl-1-[(4-carboxyphenyl)-methyl]-1h-imidazol-5-yl]methylene]-2-thiophene propanoic acid
OROAFUQRIXKEMV-LDADJPATSA-N
(e)-4-((2-butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1h-imidazol-1-yl)methyl)benzoic acid
4-({2-butyl-5-[(1e)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1h-imidazol-1-yl}methyl)benzoic acid
AB01275448_02
(e)-4-((2-butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-enyl)-1h-imidazol-1-yl)methyl)benzoic acid
DTXSID0022989
sr-05000001450
CHEBI:94094
SR-05000001450-1
J-006289
NCGC00164557-06
(e)-3-[2-butyl-1-[(4-carboxyphenyl)methyl]imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoic acid
4-[[2-butyl-5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-1-imidazolyl]methyl]benzoic acid
teveten; sk&f108566
BCP02353
Q784717
NCGC00164557-13
4-[[2-butyl-5-[(e)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
NCGC00164557-11
(alphae)-alpha-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1h-imidazol-5-yl]methylene]-2-thiophenepropanoic acid
skb 108566
HY-117743
BS-20679
4-({2-butyl-5-[(1e)-2-carboxy-2-[(thiophen-2-yl)methyl]eth-1-en-1-yl]-1h-imidazol-1-yl}methyl)benzoic acid
EN300-7397751
CS-0067582
2-thiophenepropanoic acid, alpha-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1h-imidazol-5-yl]methylene]-, (alphae)-

Roles (4)

RoleDescription
antihypertensive agentAny drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
angiotensin receptor antagonistA hormone antagonist that blocks angiotensin receptors.
xenobioticA xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
environmental contaminantAny minor or unwanted substance introduced into the environment that can have undesired effects.

Drug Classes (3)

ClassDescription
dicarboxylic acidAny carboxylic acid containing two carboxy groups.
imidazolesA five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
thiophenesCompounds containing at least one thiophene ring.

Pathways (1)

eprosartan is involved in 1 pathway(s), involving a total of 7 unique proteins and 4 unique compounds

PathwayProteinsCompounds
Eprosartan Action Pathway74

Protein Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Spike glycoproteinSevere acute respiratory syndrome-related coronavirusPotency39.8107AID1479145

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
ATP-binding cassette sub-family C member 3Homo sapiens (human)IC506.6500AID1473740
Multidrug resistance-associated protein 4Homo sapiens (human)IC50133.0000AID1473741
Bile salt export pumpHomo sapiens (human)IC50134.0000AID1443980; AID1473738
Type-1A angiotensin II receptor Rattus norvegicus (Norway rat)IC500.1244AID37697; AID37819
Type-1B angiotensin II receptorRattus norvegicus (Norway rat)IC500.1244AID37697; AID37819
Type-2 angiotensin II receptorRattus norvegicus (Norway rat)IC500.1217AID37697; AID39361
Canalicular multispecific organic anion transporter 1Homo sapiens (human)IC5057.9000AID1473739

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Type-1 angiotensin II receptorHomo sapiens (human)Affinity0.0092AID243379

Bioassays (79)

Assay IDTitleYearJournalArticle
AID625288Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID37697Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries1993Journal of medicinal chemistry, Jun-25, Volume: 36, Issue:13
ISSN: 0022-2623
Potent nonpeptide angiotensin II receptor antagonists. 2. 1-(Carboxybenzyl)imidazole-5-acrylic acids.
AID625291Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625283Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID39361In vitro inhibition of [125I]AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
ISSN: 0022-2623
1-(carboxybenzyl)imidazole-5-acrylic acids: potent and selective angiotensin II receptor antagonists.
AID444058Volume of distribution at steady state in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID444051Total clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID182790Dose dependent inhibition of pressor responses to Ang-II in conscious normotensive rat by bolus intravenous administration1996Journal of medicinal chemistry, Feb-02, Volume: 39, Issue:3
ISSN: 0022-2623
Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.
AID540209Volume of distribution at steady state in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID237841Oral bioavailability2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID625290Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID588210Human drug-induced liver injury (DILI) modelling dataset from Ekins et al2010Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12
ISSN: 1521-009X
A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID625281Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID540210Clearance in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID588220Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset2008Toxicology mechanisms and methods, , Volume: 18, Issue:2-3
ISSN: 1537-6524
Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID182791Dose dependent inhibition of pressor responses to Ang-II receptor in conscious normotensive rat by intraduodenal administration1996Journal of medicinal chemistry, Feb-02, Volume: 39, Issue:3
ISSN: 0022-2623
Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.
AID444053Renal clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID625285Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
ISSN: 1878-5832
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID444054Oral bioavailability in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1073308Inhibition of HIV1 integrase/LEDGF-75 (unknown origin) interaction2014Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3
ISSN: 1520-4804
Inhibiting the HIV integration process: past, present, and the future.
AID568878Inhibition of angiotensin 2-induced response in intraduodenally dosed normotensive rat2010Bioorganic & medicinal chemistry, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3391
Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective.
AID625280Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID243379Binding affinity for AT1 receptor2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID425653Renal clearance in human2009Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15
ISSN: 1520-4804
Physicochemical determinants of human renal clearance.
AID237099Time required for elimination of 50% of the compound2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID425652Total body clearance in human2009Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15
ISSN: 1520-4804
Physicochemical determinants of human renal clearance.
AID37819Antagonistic activity against [125I]AngII binding to Angiotensin II receptor, type 1 in rat adrenal cortical membrane1996Journal of medicinal chemistry, Feb-02, Volume: 39, Issue:3
ISSN: 0022-2623
Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.
AID239885pKa value against human Angiotensin II receptor type 12005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID1443980Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-tauroch2010Toxicological sciences : an official journal of the Society of Toxicology, Dec, Volume: 118, Issue:2
ISSN: 1096-0929
Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.
AID1216814Metabolic activation assessed as CYP2C9 activation-induced cytotoxicity in human HepG2 cells transfected with human AdCYP2C9 at MOI 10 for 2 days in presence of siNrf2 at 25 to 100 uM after 24 hrs by WST-8 assay2011Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 39, Issue:5
ISSN: 1521-009X
CYP2C9-mediated metabolic activation of losartan detected by a highly sensitive cell-based screening assay.
AID166943Inhibition of angiotensin II induced vasoconstriction of rabbit aorta1993Journal of medicinal chemistry, Jun-25, Volume: 36, Issue:13
ISSN: 0022-2623
Potent nonpeptide angiotensin II receptor antagonists. 2. 1-(Carboxybenzyl)imidazole-5-acrylic acids.
AID588209Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset2010Chemical research in toxicology, Jul-19, Volume: 23, Issue:7
ISSN: 1520-5010
Developing structure-activity relationships for the prediction of hepatotoxicity.
AID568877Inhibition of angiotensin 2-induced response in iv dosed normotensive rat2010Bioorganic & medicinal chemistry, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3391
Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective.
AID236277Volume distribution was determined2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID247113Maximal effect produced by the drug in human2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID182944In vivo inhibition of pressor response to angiotensin II in conscious normotensive rats1993Journal of medicinal chemistry, Jun-25, Volume: 36, Issue:13
ISSN: 0022-2623
Potent nonpeptide angiotensin II receptor antagonists. 2. 1-(Carboxybenzyl)imidazole-5-acrylic acids.
AID1473738Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID625284Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1474167Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status2016Drug discovery today, Apr, Volume: 21, Issue:4
ISSN: 1878-5832
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID183608in vivo inhibition of the pressor response to AII in conscious normotensive rats upon intravenous administration1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
ISSN: 0022-2623
1-(carboxybenzyl)imidazole-5-acrylic acids: potent and selective angiotensin II receptor antagonists.
AID1473739Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID625292Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID444052Hepatic clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID27037Half life of compound was determined2003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID625286Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID29138Acid dissociation value was evaluated2003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID1473741Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID39652Inhibition against Angiotensin II receptor, type 12003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID39050In vitro inhibition of AII-induced vasoconstriction of rabbit aorta.1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
ISSN: 0022-2623
1-(carboxybenzyl)imidazole-5-acrylic acids: potent and selective angiotensin II receptor antagonists.
AID625279Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID568875Antagonist activity at angiotensin AT1 receptor in rat mesenteric artery membranes2010Bioorganic & medicinal chemistry, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3391
Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective.
AID444055Fraction absorbed in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID625287Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID37820Antagonistic activity against [125I]AngII binding to Angiotensin II receptor, type 1 in rat mesenteric artery1996Journal of medicinal chemistry, Feb-02, Volume: 39, Issue:3
ISSN: 0022-2623
Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.
AID27862Total clearance value was evaluated2003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID625282Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID444050Fraction unbound in human plasma2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID444057Fraction escaping hepatic elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID23918Renal clearance value was evaluated2003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID320852Antagonist activity at rat AT1 receptor expressed in CHO cells assessed as angiotensin 2-evoked increase in intracellular calcium level2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
ISSN: 1464-3405
Selenosartans: novel selenophene analogues of milfasartan and eprosartan.
AID540211Fraction unbound in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID444056Fraction escaping gut-wall elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
ISSN: 1520-4804
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID625289Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID568876Antagonist activity at angiotensin AT1 receptor in rat adrenal cortical membranes2010Bioorganic & medicinal chemistry, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3391
Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective.
AID540213Half life in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540212Mean residence time in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
ISSN: 1521-009X
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID237981Percentage modification of drug adsorbed after administration to human2005Journal of medicinal chemistry, Jun-30, Volume: 48, Issue:13
ISSN: 0022-2623
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
AID39791Relative binding affinity of compound to Angiotensin II receptor, type 1 was determined2003Journal of medicinal chemistry, Jun-05, Volume: 46, Issue:12
ISSN: 0022-2623
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites.
AID1473740Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1745855NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1745854NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
ISSN: 1754-8411
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
ISSN: 1095-9203
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346995Human AT1 receptor (Angiotensin receptors)1992The Journal of pharmacology and experimental therapeutics, Jan, Volume: 260, Issue:1
ISSN: 0022-3565
Pharmacological characterization of the nonpeptide angiotensin II receptor antagonist, SK&F 108566.

Research

Studies (281)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's63 (22.42)18.2507
2000's158 (56.23)29.6817
2010's45 (16.01)24.3611
2020's15 (5.34)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials83 (27.95%)5.53%
Reviews49 (16.50%)6.00%
Case Studies5 (1.68%)4.05%
Observational2 (0.67%)0.25%
Other158 (53.20%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
tartronic aciddicarboxylic acid;
dicarboxylic fatty acid
plant metabolite00low000000
alpha-isopropylmalate2-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid
metabolite00low000000
itaconic aciddicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound
fungal metabolite;
human metabolite
00low000000
2-succinylbenzoatedicarboxylic acid00low000000
porphobilinogenaralkylamino compound;
dicarboxylic acid;
pyrroles
Escherichia coli metabolite;
metabolite;
mouse metabolite
00low000000
meglutol3-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol
anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
00low000000
cromolynchromones;
dicarboxylic acid
anti-asthmatic drug;
calcium channel blocker
00low000000
benzylsuccinic aciddicarboxylic acidbacterial xenobiotic metabolite00low000000
diethyl malonatedicarboxylic acid00low000000
lauroyl peroxidedicarboxylic acid00low000000
diglycolic aciddicarboxylic acid00low000000
thiodipropionic aciddicarboxylic acid00low000000
chlorendic acidbridged compound;
dicarboxylic acid;
organochlorine compound
carcinogenic agent00low000000
pamoic aciddicarboxylic acid00low000000
diphenic aciddicarboxylic acid00low000000
kainic aciddicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid
antinematodal drug;
excitatory amino acid agonist
00low000000
monomethyl succinatedicarboxylic acid00low000000
2,2-dimethylmalonatedicarboxylic acidfatty acid synthesis inhibitor00low000000
ethylmalonic aciddicarboxylic acid;
dicarboxylic fatty acid
human metabolite00low000000
2,6-naphthalenedicarboxylic aciddicarboxylic acid00low000000
calcium propionatedicarboxylic acid00low000000
olsalazineazobenzenes;
dicarboxylic acid
non-steroidal anti-inflammatory drug;
prodrug
00low000000
thiodiacetic aciddicarboxylic acid00low000000
nedocromildicarboxylic acid;
organic heterotricyclic compound
anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
00low000000
perindoprilatdicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
beta-aminoglutaric aciddicarboxylic acidalgal metabolite;
marine metabolite
00low000000
bromosuccinic acid2-bromocarboxylic acid;
dicarboxylic acid
00low000000
2,5-furandicarboxylic aciddicarboxylic acid;
furans
human urinary metabolite00low000000
gamma-glutamyltyrosinedicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide
human metabolite00low000000
alpha-methylene glutaratedicarboxylic acid;
dicarboxylic fatty acid
00low000000
dihydrokainatedicarboxylic acid00low000000
quinaprilatdicarboxylic acid;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
00low000000
n-(2-acetamido)iminodiacetic acidADA;
dicarboxylic acid;
tricarboxylic acid amide
00low000000
3-carboxy-4-methyl-5-propyl-2-furanpropionic aciddicarboxylic acid;
furoic acid
human metabolite;
uremic toxin
00low000000
methotrexatedicarboxylic acid;
monocarboxylic acid amide;
pteridines
abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
00low000000
lanthionine ketimine1,4-thiazine;
dicarboxylic acid;
sulfur-containing amino acid
anti-inflammatory agent;
human urinary metabolite;
neuroprotective agent
00low000000
aminopterindicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
00low000000
hawkinsincycloalkene;
cysteine derivative;
dicarboxylic acid;
diol;
secondary allylic alcohol;
tertiary allylic alcohol
biomarker;
human urinary metabolite
00low000000
4-aminobenzoylglutamic aciddicarboxylic acid;
dipeptide;
N-acyl-L-alpha-amino acid;
substituted aniline
00low000000
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic aciddicarboxylic acid00low000000
formiminoglutamic aciddicarboxylic acid;
L-glutamic acid derivative
00low000000
gibberellin a12C20-gibberellin;
dicarboxylic acid
00low000000
citraconic aciddicarboxylic acid;
dicarboxylic fatty acid
human metabolite00low000000
3-methylglutaconic aciddicarboxylic acid00low000000
succimerdicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid
chelator00low000000
Diethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylatedicarboxylic acid00low000000
spiraprilatazaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic aciddicarboxylic acid00low000000
bilirubinbiladienes;
dicarboxylic acid
antioxidant;
human metabolite;
mouse metabolite
00low000000
betalamic acidbetalain;
dicarboxylic acid
00low000000
7432 scephalosporin;
dicarboxylic acid
antibacterial drug00low000000
traumatic aciddicarboxylic acidplant hormone00low000000
bay u9773benzoic acids;
dicarboxylic acid;
organic sulfide;
polyunsaturated fatty acid;
secondary alcohol
leukotriene antagonist00low000000
enalaprilat anhydrousdicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
benazeprilatbenzazepine;
dicarboxylic acid;
lactam
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor00low000000
ramiprilatazabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid;
dipeptide
bradykinin receptor B2 agonist;
cardioprotective agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor
00low000000
trandolaprilatdicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
00low000000
imidaprilatdicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
poricoic acid adicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid
fungal metabolite00low000000
poricoic acid gdicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid
fungal metabolite00low000000
(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aciddicarboxylic acid;
secondary carboxamide
00low000000
ferrous fumaratedicarboxylic acid00low000000
salvianolic acid B1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite
00low000000
1,4-thiomorpholine-3,5-dicarboxylic aciddicarboxylic acid;
sulfur-containing carboxylic acid;
thiomorpholines
00low000000
bay 58-2667aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
ly 404039bridged compound;
dicarboxylic acid;
non-proteinogenic amino acid derivative;
organic heterobicyclic compound;
sulfone
antipsychotic agent;
anxiolytic drug;
dopamine agonist;
metabotropic glutamate receptor agonist
00low000000
carboxyibuprofendicarboxylic aciddrug metabolite00low000000
nigranoic aciddicarboxylic acid;
tetracyclic triterpenoid
antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite
00low000000
fertaric acidaromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative
00low000000
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
00low000000
1-(2-trifluoromethylphenyl)imidazoleimidazoles00low000000
1-methylimidazoleimidazoles00low000000
4-imidazolemethanolimidazoles;
primary alcohol
00low000000
alosetronimidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
00low000000
azathioprinearyl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
00low000000
bay h 4502biphenyls;
imidazoles
00low000000
brimonidineimidazoles;
quinoxaline derivative;
secondary amine
adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
00low000000
carcininebeta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound
antioxidant;
crustacean metabolite
00low000000
cgp 20712aimidazoles00low000000
cimetidinealiphatic sulfide;
guanidines;
imidazoles;
nitrile
adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
00low000000
clobenpropitimidazoles;
imidothiocarbamic ester;
organochlorine compound
H3-receptor antagonist;
H4-receptor agonist
00low000000
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
00low000000
dacarbazineimidazoles;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug
00low000000
dimetridazoleC-nitro compound;
imidazoles
antiparasitic agent;
antiprotozoal drug
00low000000
econazoledichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
00low000000
etanidazoleC-nitro compound;
imidazoles;
monocarboxylic acid amide
alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent
00low000000
flutrimazoleimidazole antifungal drug;
imidazoles;
monofluorobenzenes
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor00low000000
tele-methylhistamineimidazoles;
primary amino compound
human metabolite;
mouse metabolite
00low000000
alpha-methylhistaminearalkylamino compound;
imidazoles
animal metabolite;
H3-receptor agonist
00low000000
imetitimidazoles;
imidothiocarbamic ester
H3-receptor agonist;
H4-receptor agonist
00low000000
isoconazoledichlorobenzene;
ether;
imidazoles
00low000000
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
00low000000
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
00low000000
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
00low000000
miconazoledichlorobenzene;
ether;
imidazoles
00low000000
pd 169316imidazoles00low000000
ronidazoleC-nitro compound;
carbamate ester;
imidazoles
antiparasitic agent;
antiprotozoal drug
00low000000
sb 220025aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines
angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
00low000000
sb 239063imidazoles00low000000
sb 202190imidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
00low000000
sk&f 86002imidazoles00low000000
sulconazoledichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
00low000000
tinidazoleimidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
00low000000
tioconazoledichlorobenzene;
ether;
imidazoles;
thiophenes
00low000000
tizanidinebenzothiadiazole;
imidazoles
alpha-adrenergic agonist;
muscle relaxant
00low000000
tolazolineimidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
00low000000
phentolamineimidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
00low000000
azomycinC-nitro compound;
imidazoles
antitubercular agent00low000000
5-methylbenzimidazoleimidazoles00low000000
2-methyl-5-nitroimidazoleC-nitro compound;
imidazoles
00low000000
4-methylimidazoleimidazolescarcinogenic agent;
reaction intermediate
00low000000
zolimidineimidazoles00low000000
1,2-dimethylimidazoleimidazoles00low000000
4-nitroimidazoleC-nitro compound;
imidazoles
00low000000
metomidateimidazoles00low000000
nimorazoleC-nitro compound;
imidazoles
00low000000
ipronidazoleC-nitro compound;
imidazoles
00low000000
ornidazoleC-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol
antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
00low000000
1-(trimethylsilyl)-1h-imidazoleimidazoles;
N-silyl compound
chromatographic reagent00low000000
lofexidinearomatic ether;
carboxamidine;
dichlorobenzene;
imidazoles
alpha-adrenergic agonist;
antihypertensive agent
00low000000
benzonidazoleC-nitro compound;
imidazoles;
monocarboxylic acid amide
antiprotozoal drug00low000000
etomidateimidazoles00low000000
enilconazoledichlorobenzene;
ether;
imidazoles
00low000000
4-methylhistaminearalkylamino compound;
imidazoles
histamine agonist;
metabolite
00low000000
climbazolearomatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
00low000000
butoconazole nitratearyl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
00low000000
butoconazolearyl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
00low000000
oxmetidinebenzodioxoles;
imidazoles;
pyrimidone
anti-ulcer drug;
H2-receptor antagonist
00low000000
fenticonazolearyl sulfide;
dichlorobenzene;
ether;
imidazoles
00low000000
alpidemimidazoles00low000000
2-(2-methoxy-4-(methylsulfinyl)phenyl)-1h-imidazo(4,5-c)pyridineimidazoles00low000000
sertaconazole1-benzothiophenes;
dichlorobenzene;
ether;
imidazoles
00low000000
medetomidineimidazoles00low000000
zoledronic acid1,1-bis(phosphonic acid);
imidazoles
bone density conservation agent00low000000
n-acetylhistamineacetamides;
imidazoles
human metabolite00low000000
5-imidazolepropionic acidimidazoles;
monocarboxylic acid
00low000000
secnidazoleC-nitro compound;
imidazoles;
secondary alcohol
epitope00low000000
nitrefazoleimidazoles00low000000
eberconazoledibenzannulene;
imidazoles;
organochlorine compound
00low000000
prochlorazamide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
methylimidazoleacetic acidimidazoles;
monocarboxylic acid
GABA agonist;
metabolite
00low000000
5-(3-methyl-1-triazeno)imidazole-4-carboxamideimidazoles;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent
00low000000
1-(3-aminopropyl)imidazoleimidazoles00low000000
1-ethyl-2-benzimidazolinoneimidazoles00low000000
2-methylhistaminearalkylamino compound;
imidazoles
histamine agonist;
metabolite
00low000000
imidazoleacetic acidimidazoles;
monocarboxylic acid
metabolite;
mouse metabolite
00low000000
mizoribineimidazolesanticoronaviral agent00low000000
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazoleether;
imidazoles;
monomethoxybenzene
TRP channel blocker00low000000
exp3174biphenylyltetrazole;
imidazoles;
organochlorine compound
metabolite00low000000
1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazoleC-nitro compound;
imidazoles
00low000000
histidinalamino aldehyde;
imidazoles
00low000000
alpha-methylhistaminearalkylamino compound;
imidazoles
H3-receptor agonist00low000000
tipifarnibimidazoles;
monochlorobenzenes;
primary amino compound;
quinolone
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
00low000000
histidinolamino alcohol;
imidazoles
EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
00low000000
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
00low000000
fk 1052imidazoles;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
00low000000
cimicoxibaromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
00low000000
dabuzalgronaromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide
alpha-adrenergic agonist00low000000
l 778,123imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound
antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
00low000000
1-methylpropyl-2-imidazolyl disulfideimidazoles00low000000
2-pentan-3-yl-1H-imidazoleimidazoles00low000000
2-(1-adamantyl)imidazoleimidazoles00low000000
6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b]thiazoleimidazoles00low000000
bromodeoxytopsentinaromatic ketone;
bromoindole;
imidazoles;
indole alkaloid
antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite
00low000000
pifithrin-betaimidazoles00low000000
bms 214662benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
00low000000
histidyl-proline diketopiperazinedipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine
anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite
00low000000
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
00low000000
N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamideimidazoles00low000000
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanoneimidazoles00low000000
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamideimidazoles00low000000
2-(4-chlorophenyl)-3-(2-furanylmethyl)imidazo[4,5-b]quinoxalineimidazoles00low000000
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxalineimidazoles00low000000
etomidateethyl ester;
imidazoles
intravenous anaesthetic;
sedative
00low000000
4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenolimidazoles00low000000
aeg 3482imidazoles00low000000
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidineimidazoles00low000000
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-oneimidazoles00low000000
3-(4-methoxyphenyl)imidazo[1,5-a]pyridineimidazoles00low000000
N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl esterimidazoles00low000000
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamideimidazoles00low000000
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamideimidazoles00low000000
2-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehydeimidazoles00low000000
N-(2-phenyl-6-imidazo[1,2-a]pyridinyl)acetamideimidazoles00low000000
N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] esterimidazoles00low000000
2-(2-furanyl)-3-(4-methylphenyl)imidazo[4,5-b]quinoxalineimidazoles00low000000
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamideimidazoles00low000000
4-chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenolimidazoles00low000000
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamineimidazoles00low000000
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamideimidazoles00low000000
5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazoleimidazoles00low000000
2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxalineimidazoles00low000000
2-(4-methylsulfonylphenyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl esterimidazoles00low000000
1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthioureaimidazoles00low000000
metiamideimidazoles00low000000
4,5-dichloro-2-methyl-1-(2-phenoxyethyl)imidazoleimidazoles00low000000
2-Chloro-6-(1H-imidazol-1-yl)benzonitrileimidazoles00low000000
[1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanolimidazoles00low000000
2-(1-benzyl-1H-imidazol-5-yl)phenolimidazoles00low000000
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazoleimidazoles00low000000
2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidineimidazoles00low000000
6-methyl-2-[4-(1-piperidinylsulfonyl)phenyl]imidazo[1,2-a]pyridineimidazoles00low000000
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazoleimidazoles00low000000
burimamideimidazoles00low000000
carnidazoleC-nitro compound;
imidazoles
00low000000
2-methoxy-4-[5-methyl-3-(2-oxolanylmethylamino)-2-imidazo[1,2-a]pyridinyl]phenolimidazoles00low000000
4-[3-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenolimidazoles00low000000
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneimidazoles00low000000
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamideimidazoles00low000000
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-2-imidazo[2,1-b]thiazolecarboxamideimidazoles00low000000
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamideimidazoles00low000000
4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl esterimidazoles00low000000
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles00low000000
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-oneimidazoles00low000000
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamideimidazoles00low000000
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles00low000000
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimineimidazoles00low000000
1-[4-(2-chlorophenoxy)butyl]imidazolearomatic ether;
imidazoles;
monochlorobenzenes
00low000000
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenolC-nitro compound;
imidazoles
00low000000
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazoleimidazoles00low000000
4-[(7-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]morpholineimidazoles00low000000
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamidebenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]ethanoneimidazoles00low000000
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamideimidazoles00low000000
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamideimidazoles00low000000
2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamideimidazoles00low000000
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamideimidazoles00low000000
neticonazolearomatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide
antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
00low000000
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamideimidazoles00low000000
N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamideimidazoles00low000000
oxiconazoleconazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether
antiinfective agent00low000000
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl esterimidazoles00low000000
d 4476imidazoles00low000000
azanidazoleC-nitro compound;
imidazoles
00low000000
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridineimidazoles00low000000
N-[5-(2-imidazo[1,2-a]pyrimidinyl)-2-methoxyphenyl]-2-methylpropanamideimidazoles00low000000
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles00low000000
2-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)-3-imidazo[1,2-a]pyrimidinamineimidazoles00low000000
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamineimidazoles00low000000
sb-505124benzodioxole;
imidazoles;
methylpyridines
TGFbeta receptor antagonist00low000000
cyazofamidimidazole fungicide;
imidazoles;
nitrile;
organochlorine compound;
sulfamides;
sulfonamide fungicide
antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
00low000000
npi 23582,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
00low000000
l-779,450imidazoles00low000000
chir 99021aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor00low000000
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylanilineimidazoles00low000000
eluxadolineamino acid amide;
benzamides;
imidazoles;
L-phenylalanine derivative;
methoxybenzoic acid
delta-opioid receptor antagonist;
gastrointestinal drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist
00low000000
cenicrivirocaromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide
anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
00low000000
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamineaminopyrimidine;
imidazoles;
monofluorobenzenes
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
imidazoleacetic acid ribotideimidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate
00low000000
cefpodoximeimidazoles00low000000
sgi 1776imidazoles00low000000
bms-790052biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative
antiviral drug;
nonstructural protein 5A inhibitor
00low000000
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrileimidazoles00low000000
chir 98014aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
00low000000
ledipasvirazaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound
antiviral drug;
hepatitis C protease inhibitor
00low000000
gs-5816carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly
antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
00low000000
mk-8742carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly
antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
00low000000
sb-590885aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
00low000000
arotinololaromatic amide;
thiophenes
00low000000
azosemidemonochlorobenzenes;
sulfonamide;
tetrazoles;
thiophenes
loop diuretic00low000000
dup 697thiophenes00low000000
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
00low000000
suprofenaromatic ketone;
monocarboxylic acid;
thiophenes
antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
00low000000
tiaprofenic acidaromatic ketone;
monocarboxylic acid;
thiophenes
drug allergen;
non-steroidal anti-inflammatory drug
00low000000
cephalothinazabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes
antibacterial drug;
antimicrobial agent
00low000000
thiophene-2-carboxaldehydealdehyde;
thiophenes
metabolite00low000000
thiophenesmancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound
non-polar solvent00low000000
ticrynafenaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes
antihypertensive agent;
hepatotoxic agent;
loop diuretic
00low000000
sufentanilanilide;
ether;
piperidines;
thiophenes
anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
00low000000
tiagabinebeta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
00low000000
tenocyclidinepiperidines;
tertiary amino compound;
thiophenes
central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
00low000000
thifensulfuron methyl1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
4-(2-thienyl)butyric acidmonocarboxylic acid;
thiophenes
hapten00low000000
dimethenamidaromatic amide;
ether;
organochlorine compound;
thiophenes
00low000000
2,5-bis(5-hydroxymethyl-2-thienyl)furanthiophenes00low000000
teniposidearomatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
00low000000
(2-amino-5-methyl-3-thiophenyl)-thiophen-2-ylmethanonearomatic ketone;
thiophenes
00low000000
2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamidearomatic amide;
thiophenes
00low000000
4,5-dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl esteraromatic amide;
thiophenes
00low000000
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
6-amino-4-(5-bromo-2-thiophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilepyranopyrazole;
thiophenes
00low000000
3-amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl esteraromatic amide;
thiophenes
00low000000
5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acidring assembly;
thiophenes
00low000000
5-bromo-N-(2-pyridinylmethyl)-2-thiophenesulfonamidethiophenes00low000000
tioxazafen1,2,4-oxadiazole;
thiophenes
agrochemical;
nematicide
00low000000
pyrantel1,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes
antinematodal drug00low000000
N-(3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamidearomatic amide;
thiophenes
00low000000
1-cyclohexyl-3-[[oxo(thiophen-2-yl)methyl]amino]thioureaaromatic amide;
thiophenes
00low000000
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl esteraromatic amine;
thiophenes
00low000000
N-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
4-cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazidearomatic amide;
thiophenes
00low000000
N,4-dimethyl-5-phenyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-(2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
00low000000
2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl esteraromatic amine;
isopropyl ester;
tertiary carboxamide;
thiophenes
00low000000
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-chloro-2-methyl-3-pyrazolecarboxamidearomatic amide;
thiophenes
00low000000
1-(2-methylphenyl)-3-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]thioureaaromatic amide;
thiophenes
00low000000
1-(3-methylphenyl)-3-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]thioureaaromatic amide;
thiophenes
00low000000
1-(3-methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thioureaaromatic amide;
thiophenes
00low000000
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl esteraromatic amide;
isopropyl ester;
secondary carboxamide;
thiophenes
00low000000
5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamidethiophenes00low000000
N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamidearomatic amide;
thiophenes
00low000000
1,4-bis(thiophen-2-ylsulfonyl)piperazineN-sulfonylpiperazine;
thiophenes
00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-[(2-fluorophenyl)methyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamidearomatic amide;
thiophenes
00low000000
N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
4-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-thiophenecarboxylic acid ethyl esteraromatic amide;
thiophenes
00low000000
[[[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-oxomethyl]amino]thioureaaromatic amide;
thiophenes
00low000000
n-(4-(n-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamidepyrazines;
sulfonamide;
thiophenes
necroptosis inhibitor;
neuroprotective agent
00low000000
5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl esteraromatic amide;
thiophenes
00low000000
5-bromo-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidearomatic amide;
thiophenes
00low000000
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamidearomatic amide;
thiophenes
00low000000
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamidering assembly;
thiophenes
00low000000
2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl esteraromatic amide;
thiophenes
00low000000
2-[[2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
1-[[(4-ethyl-5-methyl-3-thiophenyl)-oxomethyl]amino]-3-(2-phenylethyl)thioureaaromatic amide;
thiophenes
00low000000
2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl esterring assembly;
thiophenes
00low000000
N-[3-[(cyclopropylamino)-oxomethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-2-furancarboxamidearomatic amide;
thiophenes
00low000000
[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanonearomatic amide;
thiophenes
00low000000
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamidethiophenes00low000000
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamidering assembly;
thiophenes
00low000000
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea1,3-thiazoles;
monochlorobenzenes;
phenylureas;
thiophenes
00low000000
N-(6-methoxy-3-pyridinyl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
sc 514ring assembly;
thiophenes
00low000000
N'-[4-(3-methoxyphenyl)-2-thiazolyl]-2-thiophenecarbohydrazidearomatic amide;
thiophenes
00low000000
3-chloro-4-propan-2-ylsulfonyl-2-thiophenecarbohydrazidearomatic amide;
thiophenes
00low000000
4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbohydrazidearomatic amide;
thiophenes
00low000000
3-(5-Chloro-2-thienyl)-1-methyl-4,5-dihydro-1H-pyrazolethiophenes00low000000
2-[[oxo(thiophen-2-yl)methyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
00low000000
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanonearomatic amide;
thiophenes
00low000000
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-bromo-N-(2-oxolanylmethyl)-2-thiophenesulfonamidethiophenes00low000000
N-[5-(2-oxolanyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamidearomatic amide;
thiophenes
00low000000
4-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-3-phenyl-2H-furan-5-onethiophenes00low000000
5-amino-3-[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl esteraromatic amine;
thiophenes
00low000000
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
00low000000
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamidesecondary carboxamide;
tertiary carboxamide;
thiophenes;
trifluoroacetamide
00low000000
N-(2-furanylmethyl)-5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
1-[(5-bromo-2-thiophenyl)sulfonyl]-3-methylpiperidinethiophenes00low000000
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
00low000000
3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thionethiophenes00low000000
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamidearomatic amide;
thiophenes
00low000000
1-butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thioureaaromatic amide;
thiophenes
00low000000
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamideC-nitro compound;
thiophenes
00low000000
ML162monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer
00low000000
3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-onering assembly;
thiophenes
00low000000
4-(5-bromo-2-thiophenyl)-6-methyl-2-(1-pyrrolyl)pyrimidinethiophenes00low000000
N-methyl-5-phenyl-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] esterC-nitro compound;
thiophenes
00low000000
1-(5-nitro-2-thiophenyl)piperidineC-nitro compound;
thiophenes
00low000000
2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] esterC-nitro compound;
thiophenes
00low000000
5-bromo-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] esterC-nitro compound;
thiophenes
00low000000
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamidearomatic amide;
thiophenes
00low000000
[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanonearomatic amide;
thiophenes
00low000000
1-butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thioureaaromatic amide;
thiophenes
00low000000
N-ethyl-3-(1-pyrrolyl)-2-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
dorzolamidesulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
00low000000
2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
batimastathydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide
angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
00low000000
HTS 01037ring assembly;
thiophenes
00low000000
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
00low000000
nifurzideC-nitro compound;
thiophenes
00low000000
rivaroxabanaromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
00low000000
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamidearomatic amide;
thiophenes
00low000000
azd 7762aromatic amide;
thiophenes
00low000000
ethaboxam1,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes
00low000000
penthiopyradaromatic amide;
organofluorine compound;
pyrazoles;
thiophenes
00low000000
[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanonearomatic amide;
thiophenes
00low000000
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamidearomatic amide;
thiophenes
00low000000
canagliflozinC-glycosyl compound;
organofluorine compound;
thiophenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
00low000000
EG00229benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes
angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
acebutololaromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
00low000000
alfuzosinmonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
00low000000
alprenololsecondary alcohol;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
00low000000
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
00low000000
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
00low000000
bendroflumethiazidebenzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
00low000000
benzothiazidebenzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
00low000000
bepridilpyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
00low000000
bethanidineguanidinesadrenergic antagonist;
antihypertensive agent
00low000000
betaxololpropanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
00low000000
bevantololpropanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker
00low000000
bisoprololsecondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
00low000000
bretyliumquaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
00low000000
brimonidineimidazoles;
quinoxaline derivative;
secondary amine
adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
00low000000
camostatbenzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
00low000000
candesartanbenzimidazolecarboxylic acid;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
00low000000
carteololquinolone;
secondary alcohol
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
00low000000
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
00low000000
chlorothiazidebenzothiadiazineantihypertensive agent;
diuretic
00low000000
cyclothiazidebenzothiadiazineantihypertensive agent;
diuretic
00low000000
debrisoquincarboxamidine;
isoquinolines
adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
00low000000
diazoxidebenzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
00low000000
doxazosinaromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
00low000000
felodipinedichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
00low000000
fenoldopambenzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
00low000000
guanethidineazocanes;
guanidines
adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
00low000000
fasudilisoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
00low000000
hydralazineazaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
00low000000
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
00low000000
hydroflumethiazidebenzothiadiazine;
thiazide
antihypertensive agent;
diuretic
00low000000
indapamideindoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
00low000000
avaproazaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
00low000000
ketanserinaromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
00low000000
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
00low000000
metolazoneorganochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
00low000000
metoprololaromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
00low000000
nimodipine2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
00low000000
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
00low000000
palmidrolendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine
anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
00low000000
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
00low000000
prazosinaromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
00low000000
propranololnaphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
00low000000
terazosinfurans;
piperazines;
primary amino compound;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
00low000000
tolazolineimidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
00low000000
trichlormethiazidebenzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
00low000000
reserpinealkaloid 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
00low000000
spironolactone3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
00low000000
pentolinium tartratetartrate saltantihypertensive agent00low000000
bretylium tosylateorganosulfonate salt;
quaternary ammonium salt
adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
00low000000
quinethazonequinazolinesantihypertensive agent;
diuretic
00low000000
visnaginaromatic ether;
furanochromone;
polyketide
anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
00low000000
isoamyl nitritenitrite estersantihypertensive agent;
vasodilator agent
00low000000
scoparonearomatic ether;
coumarins
anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
00low000000
hydralazine hydrochloridehydrochlorideantihypertensive agent;
vasodilator agent
00low000000
pentamethoniumquaternary ammonium ionantihypertensive agent;
vasodilator agent
00low000000
vincaminealkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid
antihypertensive agent;
metabolite;
vasodilator agent
00low000000
trimethaphansulfonium compoundanaesthesia adjuvant;
antihypertensive agent;
nicotinic antagonist;
vasodilator agent
00low000000
lofexidinearomatic ether;
carboxamidine;
dichlorobenzene;
imidazoles
alpha-adrenergic agonist;
antihypertensive agent
00low000000
metipranololacetate ester;
aromatic ether;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
00low000000
timololtimololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
00low000000
ticrynafenaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes
antihypertensive agent;
hepatotoxic agent;
loop diuretic
00low000000
guanadrelguanidines;
spiroketal
adrenergic antagonist;
antihypertensive agent
00low000000
methyldopaL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
00low000000
diltiazem5-[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
00low000000
carteolol hydrochloridehydrochlorideanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
00low000000
torsemideaminopyridine;
N-sulfonylurea;
secondary amino compound
antihypertensive agent;
loop diuretic
00low000000
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
colforsinacetate 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
00low000000
ci 906hydrochlorideantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
quinaprildicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
00low000000
cilazapril, anhydrousdicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
00low000000
carmoxiroleindolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine
antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor
00low000000
amlodipine besylateorganosulfonate saltantihypertensive agent;
calcium channel blocker;
vasodilator agent
00low000000
valsartanbiphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
00low000000
diltiazem hydrochloridehydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
00low000000
fosinoprilatL-proline derivative;
phosphinic acids
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
00low000000
guanadrel sulfateorganic sulfate saltadrenergic antagonist;
antihypertensive agent
00low000000
perindoprilatdicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
gr 1172891-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles
angiotensin receptor antagonist;
antihypertensive agent
00low000000
corilaginellagitannin;
gallate ester
antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug
00low000000
droxidopacatechols;
L-tyrosine derivative
antihypertensive agent;
prodrug;
vasoconstrictor agent
00low000000
bosentan anhydrousprimary alcohol;
pyrimidines;
sulfonamide
antihypertensive agent;
endothelin receptor antagonist
00low000000
perindoprilalpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
betaxolol hydrochloridehydrochlorideantihypertensive agent;
beta-adrenergic antagonist
00low000000
quinaprilatdicarboxylic acid;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
00low000000
1-hexadecyl-2-acetyl-glycero-3-phosphocholine2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
00low000000
cleistanthin bbeta-D-glucoside;
cleistanthins;
monosaccharide derivative
alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
00low000000
forasartanbenzenes;
pyridines;
tetrazoles;
triazoles
angiotensin receptor antagonist;
antihypertensive agent
00low000000
olmesartanbiphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
00low000000
fasudil hydrochloridehydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent
00low000000
enrasentanaromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol
antihypertensive agent;
endothelin receptor antagonist
00low000000
acebutolol hydrochloridehydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
00low000000
perindopril erbumineaddition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
metyrosineL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
00low000000
raubasinemethyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound
alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
00low000000
eplerenone3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester
aldosterone antagonist;
antihypertensive agent
00low000000
colforsin daropateacetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound
adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent
00low000000
auraptencoumarins;
monoterpenoid
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
00low000000
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
00low000000
spiraprilatazaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
rescinnamineindole alkaloid;
methyl ester;
organic heteropentacyclic compound
antihypertensive agent00low000000
timolol maleatemaleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
00low000000
cassaineenoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid
antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
00low000000
oleuropeinbeta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside
anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger
00low000000
kaempferide7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone
antihypertensive agent;
metabolite
00low000000
morin7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
00low000000
rottlerinaromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone
anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
00low000000
cilnidipine2-methoxyethyl ester;
C-nitro compound;
dihydropyridine
antihypertensive agent;
calcium channel blocker;
cardiovascular drug
00low000000
uf 021isopropyl ester;
ketone;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
prodrug
00low000000
travoprost(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
00low000000
4-hydroxychalconechalcones;
phenols
antihypertensive agent;
plant metabolite
00low000000
eprosartan mesylate dihydratemethanesulfonate saltantihypertensive agent00low000000
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
00low000000
dorzolamidesulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
00low000000
bimatoprostmonocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
00low000000
fluprostenol(trifluoromethyl)benzenes;
hydroxy monocarboxylic acid;
prostaglandins Falpha
abortifacient;
antiglaucoma drug;
antihypertensive agent;
female contraceptive drug;
prostaglandin receptor agonist
00low000000
latanoprostisopropyl ester;
prostaglandins Falpha;
triol
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
00low000000
spiraprilazaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
00low000000
lisinoprilhydrateantihypertensive agent00low000000
enalapril maleatemaleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
00low000000
enalaprildicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
00low000000
enalaprilat anhydrousdicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
trandolaprilatdicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
00low000000
imidaprildicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
00low000000
imidaprilatdicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
trandolaprildicarboxylic 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
00low000000
aliskirenmonocarboxylic acid amide;
monomethoxybenzene
antihypertensive agent00low000000
ro 42-5892cyclopropanes;
diol;
L-histidine derivative;
secondary carboxamide;
sulfone
antihypertensive agent;
EC 3.4.23.15 (renin) inhibitor;
peptidomimetic;
vasodilator agent
00low000000
phxa 85hydroxy monocarboxylic acid;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
00low000000
beraprostenyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol
anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
00low000000
l 671152hydrochloride;
organoammonium salt
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
00low000000
u 62840carbotricyclic compound;
carboxylic acid
antihypertensive agent;
cardiovascular drug;
human blood serum metabolite;
platelet aggregation inhibitor;
vasodilator agent;
vitamin K antagonist
00low000000
tekturnafumarate saltantihypertensive agent00low000000
grayanotoxin iacetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid
antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
00low000000
2-hydroxy-9-cis-octadecenoic acid2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid
antihypertensive agent;
antineoplastic agent;
apoptosis inducer
00low000000
pratosartanbiphenylyltetrazoleantihypertensive agent00low000000
bay 58-2667aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
bay 63-2521aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine
antihypertensive agent;
soluble guanylate cyclase activator
00low000000
hu 308aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid
anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist
00low000000
bay 60-4552aminopyrimidine;
carbamate ester;
monofluorobenzenes;
pyrazolopyridine
antihypertensive agent;
drug metabolite;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
macitentanaromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides
antihypertensive agent;
endothelin receptor antagonist;
orphan drug
00low000000
beraprost sodiumorganic sodium saltanti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
00low000000
sodium nitriteinorganic sodium salt;
nitrite salt
antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
00low000000
apelin-13 peptideoligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent
00low000000
act-132577aromatic ether;
organobromine compound;
pyrimidines;
sulfamides
antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite
00low000000
cleistanthincleistanthins;
xylose derivative
alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
00low000000
vericiguataminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
angiotensin iangiotensin;
peptide zwitterion
antihypertensive agent;
cardioprotective agent;
human metabolite;
rat metabolite
00low000000
praliciguataminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol
anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
tak 4911,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane
angiotensin receptor antagonist;
antihypertensive agent;
prodrug
00low000000
azilsartan1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent
00low000000
pd 123319imidazopyridineangiotensin receptor antagonist;
endothelin receptor antagonist;
vasoconstrictor agent
00low000000
octanealkanexenobiotic00low000000
2-nitropropanesecondary nitroalkanecarcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic
00low000000
bupropionaromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
00low000000
dibenzofurandibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene
xenobiotic00low000000
1-(3-chlorophenyl)piperazinemonochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
00low000000
acetaminophenacetamides;
phenols
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
acetochloraromatic amide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
00low000000
alachloraromatic amide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
00low000000
albuterolphenols;
phenylethanolamines;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
00low000000
alprazolamorganochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
00low000000
diatrizoic acidacetamides;
benzoic acids;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
00low000000
amitriptylinecarbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
00low000000
antazolinearomatic amine;
imidazolines;
tertiary amino compound
cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
00low000000
antipyrinepyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
atrazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
bentazonebenzothiadiazineenvironmental contaminant;
herbicide;
xenobiotic
00low000000
caffeinepurine 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
00low000000
carbamazepinedibenzoazepine;
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
00low000000
cetirizineether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
00low000000
chloral hydratealdehyde hydrate;
ethanediol;
organochlorine compound
general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
00low000000
chlorpyrifoschloropyridine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
00low000000
ciprofloxacinaminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion
antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
00low000000
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
00low000000
diazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
00low000000
diazinonorganic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
00low000000
dicambadichlorobenzene;
methoxybenzoic acid
agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
00low000000
dichlobanildichlorobenzene;
nitrile
agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
diclofenacamino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
dimethoatemonocarboxylic acid amide;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
00low000000
diuron3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene
environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
00low000000
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
00low000000
fluconazoleconazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
00low000000
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
00low000000
furosemidechlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
00low000000
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
00low000000
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
00low000000
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
00low000000
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
00low000000
indomethacinaromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole
analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
00low000000
iohexolbenzenedicarboxamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
iomeprolbenzenedicarboxamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
iopromidedicarboxylic acid diamide;
organoiodine compound
environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
00low000000
ketaminecyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
00low000000
ketoprofenbenzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
lamotrigine1,2,4-triazines;
dichlorobenzene;
primary arylamine
anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
00low000000
tetramisoleimidazothiazoleenvironmental contaminant;
xenobiotic
00low000000
mefenamic acidaminobenzoic acid;
secondary amino compound
analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
00low000000
methomylaliphatic sulfide;
carbamate ester
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
00low000000
metoclopramidebenzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
00low000000
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
00low000000
moclobemidebenzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
00low000000
deetbenzamides;
monocarboxylic acid amide
environmental contaminant;
insect repellent;
xenobiotic
00low000000
1-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-arylpiperazine
environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
00low000000
nitroglycerinnitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
00low000000
norfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
00low000000
oxazepam1,4-benzodiazepinone;
organochlorine compound
anxiolytic drug;
environmental contaminant;
xenobiotic
00low000000
oxybenzonehydroxybenzophenone;
monomethoxybenzene
dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
00low000000
pantoprazolearomatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
pentamidinearomatic ether;
carboxamidine;
diether
anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
00low000000
pioglitazonearomatic ether;
pyridines;
thiazolidinediones
antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
00low000000
primidonepyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
00low000000
prometonediamino-1,3,5-triazine;
methoxy-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
prometrynediamino-1,3,5-triazine;
methylthio-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
propachloranilide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
00low000000
propazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
saccharin1,2-benzisothiazole;
N-sulfonylcarboxamide
environmental contaminant;
sweetening agent;
xenobiotic
00low000000
sulfadiazinepyrimidines;
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
00low000000
simazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
sotalolethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide
anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
00low000000
sulfadimethoxinearomatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
00low000000
sulfamethazinepyrimidines;
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
00low000000
sulfamethoxazoleisoxazoles;
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
00low000000
sulfapyridinepyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
00low000000
sulfathiazole1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
triclosanaromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols
antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
00low000000
trifluralin(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
trimethoprimaminopyrimidine;
methoxybenzenes
antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
trimipraminedibenzoazepine;
tertiary amino compound
antidepressant;
environmental contaminant;
xenobiotic
00low000000
venlafaxinecyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound
adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
00low000000
prednisolone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
00low000000
aminopyrinepyrazolone;
tertiary amino compound
antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
barbituric acidbarbituratesallergen;
xenobiotic
00low000000
bisphenol abisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
00low000000
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
00low000000
pseudoephedrinephenylethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
00low000000
2-methyl-4-chlorophenoxy gamma-butyric acidaromatic ether;
monocarboxylic acid;
monochlorobenzenes
environmental contaminant;
phenoxy herbicide;
xenobiotic
00low000000
benzotriazolebenzotriazolesenvironmental contaminant;
xenobiotic
00low000000
benzothiazolebenzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
00low000000
3,4-dichloroanilinedichloroanilineepitope;
xenobiotic
00low000000
acetophenoneacetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
00low000000
phenylhydrazinephenylhydrazinesxenobiotic00low000000
triclocarbandichlorobenzene;
monochlorobenzenes;
phenylureas
antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
00low000000
fenuron3-(3,4-substituted-phenyl)-1,1-dimethylureaagrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
00low000000
cyanuric acid1,3,5-triazinanes;
1,3,5-triazines;
heteroaryl hydroxy compound
xenobiotic00low000000
diglymepolyetherenvironmental contaminant;
solvent;
xenobiotic
00low000000
propylenealkene;
gas molecular entity
refrigerant;
xenobiotic
00low000000
2-naphthalenesulfonic acidnaphthalenesulfonic acidenvironmental contaminant;
xenobiotic
00low000000
4-sulfanilic acidaminobenzenesulfonic acidallergen;
environmental contaminant;
xenobiotic metabolite;
xenobiotic
00low000000
5-tolyltriazolebenzotriazolesenvironmental contaminant;
xenobiotic
00low000000
monuron3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes
environmental contaminant;
herbicide;
xenobiotic
00low000000
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
00low000000
linurondichlorobenzene;
phenylureas
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
perfluorooctanoic acidfluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
00low000000
perfluorodecanoic acidfluoroalkanoic acidenvironmental contaminant;
xenobiotic
00low000000
perfluorobutyric acidfluoroalkanoic acidchromatographic reagent;
environmental contaminant;
xenobiotic
00low000000
triphenylmethanetriarylmethaneenvironmental contaminant;
xenobiotic
00low000000
methamphetamineamphetamines;
secondary amine
central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
00low000000
3-methylquinolinemethylquinolinexenobiotic00low000000
terbutrynediamino-1,3,5-triazine;
methylthio-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
ethambutolethanolamines;
ethylenediamine derivative
antitubercular agent;
environmental contaminant;
xenobiotic
00low000000
metformin hydrochloridehydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
00low000000
ioxyniliodophenol;
nitrile
environmental contaminant;
herbicide;
xenobiotic
00low000000
bromoxynildibromobenzene;
hydroxynitrile;
phenols
environmental contaminant;
herbicide;
xenobiotic
00low000000
pyrazonbenzenes;
organochlorine compound;
primary amino compound;
pyridazinone
environmental contaminant;
herbicide;
xenobiotic
00low000000
methiocarbaryl sulfide;
carbamate ester;
methyl sulfide
acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic
00low000000
lenacilcyclopentapyrimidineagrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
fluometuron(trifluoromethyl)benzenes;
3-(3,4-substituted-phenyl)-1,1-dimethylurea
agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
00low000000
1,2-benzisothiazoline-3-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound
disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic
00low000000
asulamcarbamate ester;
primary amino compound;
substituted aniline;
sulfonamide
agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
chlorpyrifos-methylchloropyridine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
00low000000
terbutylazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
1-indanolaromatic alcohol;
indanes;
secondary alcohol
xenobiotic00low000000
desmediphamcarbamate esteragrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
phenmediphamcarbamate esterenvironmental contaminant;
herbicide;
xenobiotic
00low000000
chlortoluronmonochlorobenzenes;
phenylureas
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
methoxuron3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene
agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic
00low000000
neohesperidin dihydrochalconedihydrochalcones;
disaccharide derivative;
neohesperidoside
environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic
00low000000
metribuzin1,2,4-triazines;
cyclic ketone;
organic sulfide
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
cyanazine1,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
00low000000
pirimicarbaminopyrimidine;
carbamate ester;
tertiary amino compound
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
00low000000
butachloraromatic amide;
organochlorine compound;
tertiary carboxamide
environmental contaminant;
herbicide;
xenobiotic
00low000000
propamocarbcarbamate ester;
carbamate fungicide;
tertiary amino compound
antifungal agrochemical;
environmental contaminant;
xenobiotic
00low000000
5-chloro-2-methyl-4-isothiazolin-3-one1,2-thiazoles;
organochlorine compound
antimicrobial agent;
environmental contaminant;
xenobiotic
00low000000
2-n-octyl-4-isothiazolin-3-one1,2-thiazolesantibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic
00low000000
ioxitalamic acidacetamides;
benzoic acids;
dicarboxylic acid monoamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
amitrazformamidines;
tertiary amino compound
acaricide;
environmental contaminant;
insecticide;
xenobiotic
00low000000
acetosulfameorganic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester
environmental contaminant;
sweetening agent;
xenobiotic
00low000000
isoproturon3-(3,4-substituted-phenyl)-1,1-dimethylureaagrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
metamitron1,2,4-triazinesenvironmental contaminant;
herbicide;
xenobiotic
00low000000
bezafibratearomatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
00low000000
triclopyraromatic ether;
chloropyridine;
monocarboxylic acid
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
propiconazoleconazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
metazachloraromatic amide;
organochlorine compound;
pyrazoles
environmental contaminant;
herbicide;
xenobiotic
00low000000
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acidaminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound
environmental contaminant;
herbicide;
xenobiotic
00low000000
fenoxycarbaromatic ether;
carbamate ester
environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
00low000000
metsulfuron methyl1,3,5-triazines;
benzoate ester;
N-sulfonylurea
environmental contaminant;
herbicide;
xenobiotic
00low000000
pravastatin3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)
anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
00low000000
clomazoneisoxazolidinone;
monochlorobenzenes
agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
atomoxetinearomatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
00low000000
aromasil17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
gemcitabineorganofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
00low000000
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
00low000000
prosulfocarbbenzenes;
monothiocarbamic ester
environmental contaminant;
herbicide;
xenobiotic
00low000000
3-iodo-2-propynylbutylcarbamateacetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound
antifungal agrochemical;
environmental contaminant;
xenobiotic
00low000000
oseltamiviracetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
00low000000
iopamidolbenzenedicarboxamide;
organoiodine compound;
pentol
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
iobitridolbenzenedicarboxamide;
hexol;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
00low000000
perfluorohexanoic acidfluoroalkanoic acidenvironmental contaminant;
xenobiotic
00low000000
perfluoro-n-heptanoic acidfluoroalkanoic acidenvironmental contaminant;
xenobiotic
00low000000
perfluoro-n-nonanoic acidfluoroalkanoic acidpersistent organic pollutant;
surfactant;
xenobiotic
00low000000
acamprosateacetamides;
organosulfonic acid
environmental contaminant;
neurotransmitter agent;
xenobiotic
00low000000
trichlorosucrosedisaccharide derivative;
organochlorine compound
environmental contaminant;
sweetening agent;
xenobiotic
00low000000
nicosulfuronN-sulfonylurea;
pyridines;
pyrimidines
environmental contaminant;
herbicide;
xenobiotic
00low000000
prochlorazamide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
thifensulfuron methyl1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
flusilazoleconazole fungicide;
monofluorobenzenes;
organosilicon compound;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
perfluoropentanoic acidfluoroalkanoic acidenvironmental contaminant;
xenobiotic
00low000000
1-benzylpiperazineN-alkylpiperazineenvironmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
00low000000
perfluoroundecanoic acidfluoroalkanoic acidenvironmental contaminant;
xenobiotic
00low000000
sulfluramidsulfonamideacaricide;
environmental contaminant;
insecticide;
xenobiotic
00low000000
clarithromycinmacrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
00low000000
spiroxaminedioxolane;
spiroketal;
tertiary amino compound
antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic
00low000000
difenoconazolearomatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
dimethomorphmixture;
morpholine fungicide
antifungal agrochemical;
environmental contaminant;
xenobiotic
00low000000
cyprodinilaminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound
antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
00low000000
imidaclopridimidacloprid;
imidazolidines;
monochloropyridine
environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
00low000000
foe 5043aromatic amide;
monofluorobenzenes;
thiadiazoles
environmental contaminant;
herbicide;
xenobiotic
00low000000
nicotine3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
00low000000
irgarol 1051aryl sulfide;
cyclopropanes;
diamino-1,3,5-triazine
antifouling biocide;
environmental contaminant;
xenobiotic
00low000000
pyrimethanilaminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound
antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
00low000000
kathon 9301,2-thiazoles;
organochlorine compound
environmental contaminant;
fungicide;
xenobiotic
00low000000
fluazinam(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound
allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
00low000000
teflubenzurondichlorobenzene;
difluorobenzene;
N-acylurea
environmental contaminant;
insecticide;
xenobiotic
00low000000
diflufenican(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
sulcotrionearomatic ketone;
beta-triketone;
cyclohexanones;
sulfone
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
tebufenozidecarbohydrazideecdysone agonist;
environmental contaminant;
xenobiotic
00low000000
dpx e9636aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone
environmental contaminant;
herbicide;
xenobiotic
00low000000
arsenocholinearsonium ion;
organoarsenic compound
human urinary metabolite;
marine metabolite;
xenobiotic
00low000000
methoxyfenozidecarbohydrazide;
monomethoxybenzene
environmental contaminant;
insecticide;
xenobiotic
00low000000
thiamethoxam1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane
antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
00low000000
thiaclopridmonochloropyridine;
nitrile;
thiazolidines
environmental contaminant;
neonicotinoid insectide;
xenobiotic
00low000000
aspartamecarboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester
apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
00low000000
2-ethyl-5-carboxypentyl phthalatephthalic acid monoesterxenobiotic00low000000
carpropamidamide fungicide;
cyclopropylcarboxamide;
monochlorobenzenes
antifungal agrochemical;
EC 4.2.1.94 (scytalone dehydratase) inhibitor;
melanin synthesis inhibitor;
xenobiotic
00low000000
naproxenmethoxynaphthalene;
monocarboxylic acid
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
00low000000
mesotrionearomatic ketone;
beta-triketone;
C-nitro compound;
sulfone
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
00low000000
troleandomycinacetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative
EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
00low000000
dronedarone1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
environmental contaminant;
xenobiotic
00low000000
pinoxadenpivalate ester;
pyrazolooxadiazepine
agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
environmental contaminant;
proherbicide;
xenobiotic
00low000000
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamideanilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic
00low000000
prizescarboxamidine;
monochloropyridine;
nitrile
environmental contaminant;
neonicotinoid insectide;
xenobiotic
00low000000
ritonavir1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
00low000000
lenticinamino-acid betaine;
indole alkaloid;
L-tryptophan derivative
fungal metabolite;
plant metabolite;
xenobiotic
00low000000
cyanoginosin lrmicrocystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
rosuvastatindihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide
anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
00low000000
cocainebenzoate 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
00low000000
mycophenolic acid2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
00low000000
zithromaxmacrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
00low000000
dieldrinepoxide;
organochlorine compound;
organochlorine insecticide
carcinogenic agent;
xenobiotic
00low000000
thiopentalbarbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
00low000000
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
00low000000
azoxystrobinaryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile
antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
00low000000
sitagliptintriazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
00low000000
tylosinaldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative
allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
00low000000
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
00low000000
levetiracetampyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
00low000000
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
00low000000
naltrexonecyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
00low000000
dextromethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
00low000000
kresoxim-methylaromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether
antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
00low000000
pyrachlostrobinaromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles
antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
00low000000
cilastatincarboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide
EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
00low000000
microcystin rrmicrocystin;
organic molecular entity
bacterial metabolite;
environmental contaminant;
xenobiotic
00low000000
roxithromycinroxithromycinenvironmental contaminant;
xenobiotic
00low000000
yunaconitineacetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound
antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
00low000000
pymetrozine1,2,4-triazines;
pyridines
antifeedant;
environmental contaminant;
TRPV channel modulator;
xenobiotic
00low000000
neotamedipeptideenvironmental contaminant;
sweetening agent;
xenobiotic
00low000000
flonicamidnitrile;
organofluorine compound;
pyridinecarboxamide
environmental contaminant;
insecticide;
xenobiotic
00low000000
microcystin-lfmicrocystinbacterial metabolite;
environmental contaminant;
xenobiotic
00low000000
decarbamylsaxitoxinalkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine
bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic
00low000000
mephedroneamphetamines;
aromatic ketone;
secondary amino compound
environmental contaminant;
xenobiotic
00low000000
imidaclopridimidacloprid;
imidazolidines;
monochloropyridine
environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
00low000000
clothianidin1,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound
environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
00low000000
clozapinebenzodiazepine;
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
00low000000
imidaclopridimidacloprid;
imidazolidines;
monochloropyridine
environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
00low000000
clothianidin1,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound
environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
00low000000
benzenearomatic annulene;
benzenes;
volatile organic compound
carcinogenic agent;
environmental contaminant;
non-polar solvent
00low000000
formaldehydealdehyde;
one-carbon compound
allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
00low000000
naphthalenenaphthalenes;
ortho-fused bicyclic arene
apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
00low000000
phenanthreneortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes
environmental contaminant;
mouse metabolite
00low000000
pyridineazaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines
environmental contaminant;
NMR chemical shift reference compound
00low000000
2,4,6-tribromophenolbromophenolenvironmental contaminant;
fungicide;
marine metabolite
00low000000
2,4-dichlorophenoxyacetic acidchlorophenoxyacetic acid;
dichlorobenzene
agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
00low000000
4-nonylphenolphenolsenvironmental contaminant00low000000
dibutyl phthalatediester;
phthalate ester
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
00low000000
ethionorganic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
00low000000
methyl parathionC-nitro compound;
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
00low000000
bromodichloromethanehalomethaneenvironmental contaminant;
reagent
00low000000
trichlorofluoromethanechlorofluorocarbon;
halomethane
environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant
00low000000
tris(2-butoxyethyl) phosphatetrialkyl phosphateenvironmental contaminant;
flame retardant
00low000000
cumene hydroperoxideperoxolenvironmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent
00low000000
1-nitronaphthalenemononitronaphthaleneenvironmental contaminant;
mouse metabolite
00low000000
2-nitrotoluenemononitrotoluenecarcinogenic agent;
environmental contaminant
00low000000
2-methyl-4-chlorophenoxyacetic acidchlorophenoxyacetic acid;
monochlorobenzenes
environmental contaminant;
phenoxy herbicide;
synthetic auxin
00low000000
benzotrifluoride(trifluoromethyl)benzenes;
fluorohydrocarbon
environmental contaminant;
NMR chemical shift reference compound;
solvent
00low000000
n-nitrosopiperidinenitrosamine;
piperidine
apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen
00low000000
cyclamic acidsulfamic acidsenvironmental contaminant;
human xenobiotic metabolite
00low000000
1,3-dichloropropanechloroalkane;
chlorohydrocarbon
environmental contaminant;
nematicide
00low000000
malachite greenorganic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
00low000000
2,6-dimethylnaphthalenedimethylnaphthaleneenvironmental contaminant00low000000
brilliant greenorganic hydrogensulfate saltantibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison
00low000000
ametrynediamino-1,3,5-triazine;
methylthio-1,3,5-triazine
environmental contaminant;
herbicide
00low000000
3-methylfuranfurans;
volatile organic compound
Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
00low000000
bpmccarbamate esteragrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
herbicide;
insecticide
00low000000
pirimiphos methylaminopyrimidine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
00low000000
pendimethalinC-nitro compound;
secondary amino compound;
substituted aniline
agrochemical;
environmental contaminant;
herbicide
00low000000
isoprothiolanedithiolanes;
isopropyl ester;
malonate ester
antifungal agrochemical;
environmental contaminant;
insecticide;
phospholipid biosynthesis inhibitor
00low000000
perfluorododecanoic acidfluoroalkanoic acidenvironmental contaminant00low000000
t-2 toxinacetate ester;
organic heterotetracyclic compound;
trichothecene
apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
brimonidineimidazoles;
quinoxaline derivative;
secondary amine
adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
00low000000
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
00low000000
tolazolineimidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
00low000000
lofexidinearomatic ether;
carboxamidine;
dichlorobenzene;
imidazoles
alpha-adrenergic agonist;
antihypertensive agent
00low000000
ticrynafenaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes
antihypertensive agent;
hepatotoxic agent;
loop diuretic
00low000000
perindoprilatdicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
quinaprilatdicarboxylic acid;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
00low000000
spiraprilatazaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
dorzolamidesulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
00low000000
enalaprilat anhydrousdicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
trandolaprilatdicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
00low000000
imidaprilatdicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
00low000000
bay 58-2667aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
00low000000
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
00low000000
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
00low000000
prochlorazamide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
00low000000
thifensulfuron methyl1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes
agrochemical;
environmental contaminant;
herbicide;
xenobiotic
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
ethylene dichloridechloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
2010201014.0low000200
aminolevulinic acid4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid
antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
202320231.0low000001
ethylene glycolethanediol;
glycol
metabolite;
mouse metabolite;
solvent;
toxin
2010201014.0low000200
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2008200816.0low000100
quinacrineacridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
2008200816.0low000200
benzyl alcoholbenzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
2008200816.0low000100
betaineamino-acid betaine;
glycine derivative
fundamental metabolite2008201612.0low000110
coumarincoumarinsfluorescent dye;
human metabolite;
plant metabolite
202320231.0low000001
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
202320231.0low000001
4-aminophenolaminophenolallergen;
metabolite
2010201014.0low000100
bupropionaromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
201620168.0low000010
aminocaproic acidamino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
2008201613.0low000310
lactic acid2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
2008200816.0low000100
hexachlorocyclohexanechlorocyclohexane2010201014.0low000200
glycinealpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid
EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
2008200816.0low000100
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
2008200816.0low000100
alpha-glycerophosphoric acidglycerol monophosphatealgal metabolite;
human metabolite
2008200816.0low000100
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
2008200816.0low000100
thioctic aciddithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
202320231.0low000001
inositolcyclitol;
hexol
2008201014.7low000300
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2010201313.0low000210
niacinpyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3
antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
2008201613.0low000310
picolinic acidpyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
202320231.0low000001
pyrazinamidemonocarboxylic acid amide;
N-acylammonia;
pyrazines
antitubercular agent;
prodrug
2010201611.8low000220
pyridoxinehydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201612.0low000210
succinic acidalpha,omega-dicarboxylic acid;
C4-dicarboxylic acid
anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
2008200816.0low000100
thiamineprimary alcohol;
vitamin B1
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
201020239.2low000211
1-(3-chlorophenyl)piperazinemonochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
2008201313.5low000110
2,4-dinitrophenoldinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2010201014.0low000200
3-aminobenzamidebenzamides;
substituted aniline
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
3-methylcholanthreneortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
2010201014.0low000100
enprofyllineoxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
2008200915.5low000200
pleconaril202320231.0low000001
4-(2-aminoethyl)benzenesulfonylfluoride202320231.0low000001
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
2010202310.2low000311
tacrineacridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor2008201314.0low000510
acebutololaromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
2008201613.2low000310
acetaminophenacetamides;
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
2008201613.6low000720
acetazolamidemonocarboxylic acid amide;
sulfonamide;
thiadiazoles
anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2008202311.6low000521
acetohexamideacetophenones;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2010201014.0low000200
acetohydroxamic acidacetohydroxamic acids;
carbohydroximic acid
algal metabolite;
EC 3.5.1.5 (urease) inhibitor
201620168.0low000010
methacholineacetate ester;
quaternary ammonium ion
bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent
2008200816.0low000100
alaproclatealpha-amino acid ester201620168.0low000010
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
2008201612.6low000320
albuterolphenols;
phenylethanolamines;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
2008201612.8low000320
alendronate1,1-bis(phosphonic acid);
primary amino compound
bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
201620168.0low000010
alfuzosinmonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2008201612.0low000110
alosetronimidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
2008201612.0low000110
alprazolamorganochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
2008201613.2low000310
alprenololsecondary alcohol;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2008202311.8low000411
altretaminetriamino-1,3,5-triazine201620168.0low000010
amantadineadamantanes;
primary aliphatic amine
analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2008202311.7low000411
ambenoniumquaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor201620168.0medium000010
ambroxolaromatic amine2008200816.0low000100
diatrizoic acidacetamides;
benzoic acids;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
2008201611.7low000120
amifostine anhydrousdiamine;
organic thiophosphate
antioxidant;
prodrug;
radiation protective agent
201620168.0low000010
aminoglutethimidedicarboximide;
piperidones;
substituted aniline
adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2008201313.8low000310
p-aminohippuric acidN-acylglycineDaphnia magna metabolite201620168.0low000010
theophyllinedimethylxanthineadenosine 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
2008201613.2low000620
2-aminothiazole1,3-thiazoles;
primary amino compound
202320231.0low000001
amiodarone1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug2008201613.6low000720
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
2009201313.3low000210
amitriptylinecarbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
2008201613.4low000520
amlexanoxmonocarboxylic acid;
pyridochromene
anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
2013201311.0low000010
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2008201612.8low000320
amodiaquineaminoquinoline;
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
202320231.0low000001
amoxapinedibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
2010201611.8low000220
amsacrineacridines;
aromatic ether;
sulfonamide
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2008201313.5low000110
anastrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
201320169.5low000020
antazolinearomatic amine;
imidazolines;
tertiary amino compound
cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
2008200816.0low000100
anthralinanthracenesantipsoriatic2013201311.0low000010
antipyrinepyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2008201314.0low000410
aspirinbenzoic 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
2008202311.3low000421
astemizolebenzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
2010201313.0low000210
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2008201613.1low000520
azathioprinearyl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
2010201612.2low000320
azelastinemonochlorobenzenes;
phthalazines;
tertiary amino compound
anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
2008200915.5low000200
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
201320236.7low000021
barbitalbarbituratesdrug allergen2008200816.0low000100
bendazacindazoles;
monocarboxylic acid
non-steroidal anti-inflammatory drug;
radical scavenger
201620168.0low000010
bendroflumethiazidebenzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
2008201612.0low000110
benzamidebenzamides200820238.5low000101
benzbromarone1-benzofurans;
aromatic ketone
uricosuric drug2010201612.3low000330
benzocainebenzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
2013201311.0low000010
benzquinamidemonocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
2008200816.0low000100
bepridilpyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2008200816.0low000100
bethanidineguanidinesadrenergic antagonist;
antihypertensive agent
2008200816.0low000100
betaxololpropanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2008201613.8low000410
bethanecholcarbamate ester;
quaternary ammonium ion
muscarinic agonist201620168.0low000010
bevantololpropanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker
2008200915.5low000200
bicalutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
2010201611.8low000220
bay h 4502biphenyls;
imidazoles
2013201311.0low000010
biperidenpiperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
2008201612.7low000210
bisacodyldiarylmethane2008201611.7low000120
bisoprololsecondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2008201613.2low000310
bithionolaryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol
antifungal agrochemical;
antiplatyhelmintic drug
2010201014.0low000200
bromazepamorganic molecular entity2008201015.0low000300
bromhexineorganobromine compound;
substituted aniline;
tertiary amino compound
mucolytic2008200816.0low000100
bromopridebenzamides2008201314.0low000210
bronopolnitro compound2013201311.0low000010
brotizolamorganic molecular entity2008200816.0low000100
buflomedilaromatic ketone2008201015.0low000300
bumetanideamino acid;
benzoic acids;
sulfonamide
diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
2008201613.2low000620
bunazosinquinazolines2008200816.0low000100
bunitrololaromatic ether2008200816.0low000100
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
2008201014.6low000500
bupranololaromatic ether2008200816.0low000100
buspironeazaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
2008201613.0low000310
busulfanmethanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
2008201613.2low000620
secbutabarbitalbarbiturates201620168.0low000010
butalbitalbarbituratesanalgesic;
sedative
2008200816.0low000100
caffeinepurine 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
2008201613.6low000720
verapamilaromatic ether;
nitrile;
polyether;
tertiary amino compound
2008201613.0low000420
metrizoatemonocarboxylic acidradioopaque medium2008200915.7low000300
camostatbenzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
202320231.0low000001
camphor, (+-)-isomerbornane monoterpenoid;
cyclic monoterpene ketone
plant metabolite202320231.0low000001
candesartan cilexetilbiphenyls1996201021.0low001200
candesartanbenzimidazolecarboxylic acid;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1996202314.7low001521
carbamazepinedibenzoazepine;
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
2008201612.6low000320
carbazochrome2008200816.0low000100
carbinoxaminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
2008201612.0low000110
carisoprodolcarbamate estermuscle relaxant201620168.0low000010
carmustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
2008201314.3low000210
carprofencarbazoles;
organochlorine compound
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
2013201311.0low000010
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
2008201612.8low000320
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201611.0low000120
cetirizineether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
201620168.0low000010
cetylpyridiniumpyridinium ion202320231.0low000001
chlorambucilaromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2008201613.0low000420
chlorcyclizinediarylmethane2008201612.0low000110
chlordiazepoxidebenzodiazepine2008201613.0low000420
chlormezanone1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone
antipsychotic agent;
anxiolytic drug;
muscle relaxant
201620168.0low000010
chloroquineaminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
2008201613.4low000520
chlorothiazidebenzothiadiazineantihypertensive agent;
diuretic
2008201612.0low000110
chloroxinemonohydroxyquinoline;
organochlorine compound
antibacterial agent;
antifungal drug;
antiseborrheic
2008200816.0low000100
chloroxylenolmonochlorobenzenes;
phenols
antiseptic drug;
disinfectant;
molluscicide
202320231.0low000001
chlorpheniraminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
2008201613.0low000420
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
2008202312.3low000721
chlorpropamidemonochlorobenzenes;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2008201613.6low000720
chlorthalidoneisoindoles;
monochlorobenzenes;
sulfonamide
2008201612.8low000320
chlorzoxazone1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound
muscle relaxant;
sedative
2010201611.8low000220
cifenlinediarylmethane2008201314.0low000310
ciclopiroxcyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone
antibacterial agent;
antiseborrheic
2010201313.0low000210
ciglitazonearomatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
2010201313.2low000310
cilostazollactam;
tetrazoles
anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
201320169.5low000020
cimetidinealiphatic sulfide;
guanidines;
imidazoles;
nitrile
adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2008201613.6low000720
ciprofibratecyclopropanes;
monocarboxylic acid;
organochlorine compound
antilipemic drug2008202311.7low000411
ciprofloxacinaminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion
antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
2008201613.0low000420
cisapridebenzamides2010201014.0low000200
citalopram2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
2008201613.5low000620
clioquinolmonohydroxyquinoline;
organochlorine compound;
organoiodine compound
antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
2008201313.5low000110
clobazam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator
2013201311.0low000010
clofaziminemonochlorobenzenes;
phenazines
dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
2008201313.7low000210
clofibratearomatic ether;
ethyl ester;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
2010201612.2low000320
clomiphenetertiary amineestrogen antagonist;
estrogen receptor modulator
2010201611.0medium000120
clomipraminedibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
2008202311.8low000521
clonazepam1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
2008201613.2low000310
clonidineclonidine;
imidazoline
2008201613.8low000310
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamidesulfonamide2010201312.5medium000110
chlorazepate1,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
2008201612.0high000110
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
2010201612.0low000210
cromolynchromones;
dicarboxylic acid
anti-asthmatic drug;
calcium channel blocker
2010201014.0medium000200
cyclandelatecarboxylic ester;
secondary alcohol
vasodilator agent2008200816.0low000100
cyclobenzaprinecarbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
201620168.0low000010
cyclofenilorganic molecular entity2008201612.0low000110
cyproheptadinepiperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
201620168.0low000010
danthrondihydroxyanthraquinoneapoptosis inducer;
plant metabolite
202320231.0low000001
dapsonesubstituted aniline;
sulfone
anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
2008201613.2low000620
debrisoquincarboxamidine;
isoquinolines
adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
2008200816.0low000100
deferiprone4-pyridonesiron chelator;
protective agent
202320231.0low000001
deferoxamineacyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
201620168.0low000010
desipraminedibenzoazepine;
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
2008201613.6low000720
nordazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
2008200816.0low000100
amphetamineprimary amine2008201613.3low000210
diazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
2008201613.4low000520
diazoxidebenzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
2008201613.0low000420
diclofenacamino 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
2008201613.5low000510
dichlorphenamidedichlorobenzene;
sulfonamide
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
2008201612.0low000110
dicyclominecarboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
201620168.0low000010
diethylcarbamazineN-carbamoylpiperazine;
N-methylpiperazine
2010201014.0low000200
pentetic acidpentacarboxylic acidcopper chelator201620168.0low000010
diphenidolbenzenes;
piperidines;
tertiary alcohol
antiemetic2008200816.0low000100
diflunisalmonohydroxybenzoic acid;
organofluorine compound
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008201613.0low000310
dimercaproldithiol;
primary alcohol
chelator2010201612.0low000210
diphenhydramineether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
2008201613.2low000310
dipyridamolepiperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
201020239.6low000221
disopyramidemonocarboxylic acid amide;
pyridines;
tertiary amino compound
anti-arrhythmia drug2008201613.4low000520
disulfiramorganic 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
201020238.5low000121
valproic acidbranched-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
2008202312.3low000621
domperidonebenzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
2008201314.0low000310
donepezilaromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
2010201611.8low000220
doxaprammorpholines;
pyrrolidin-2-ones
central nervous system stimulant2008201612.7low000210
doxazosinaromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
200820238.3low000111
doxepindibenzooxepine;
tertiary amino compound
antidepressant2008201612.8low000320
doxylaminepyridines;
tertiary amine
anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
2008201612.0low000110
droperidolaromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
201620168.0low000010
dyphyllineoxopurine;
propane-1,2-diols
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
2008201613.5low000310
ebastineorganic molecular entity2013201311.0low000010
ebselenbenzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
202320231.0low000001
edrophoniumphenols;
quaternary ammonium ion
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
201620168.0low000010
enoxacin1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
2008201313.5low000110
estazolamtriazoles;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA modulator
201620168.0low000010
ethacrynic acidaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid
EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
2008201611.7low000120
profenaminephenothiazines;
tertiary amino compound
adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
2008200816.0low000100
ethosuximidedicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
2010201611.8low000220
ethotoinimidazolidine-2,4-dioneanticonvulsant201620168.0low000010
ethyl loflazepateorganic molecular entity2008200816.0low000100
etidronate1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
201620234.5low000011
etilefrinephenols2008201015.0low000300
etizolamorganic molecular entity2008200816.0low000100
etodolacmonocarboxylic acid;
organic heterotricyclic compound
antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
201620168.0low000010
2-hexyloxybenzamidearomatic ether;
benzamides
antifungal agent202320231.0low000001
brl 428102-aminopurines;
acetate ester
antiviral drug;
prodrug
200820239.0low000121
carbonyl cyanide p-trifluoromethoxyphenylhydrazonearomatic ether;
hydrazone;
nitrile;
organofluorine compound
ATP synthase inhibitor;
geroprotector;
ionophore
2010201014.0low000200
felbamatecarbamate esteranticonvulsant;
neuroprotective agent
2010201612.0low000210
4-biphenylylacetic acidbiphenyls;
monocarboxylic acid
non-steroidal anti-inflammatory drug2013201311.0low000010
felodipinedichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2008201612.8low000320
fenfluramine(trifluoromethyl)benzenes;
secondary amino compound
appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2008200816.0low000100
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
2010201612.2low000320
fenoldopambenzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
201620168.0low000010
fenoprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008201612.0low000110
berotekresorcinols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
2008200816.0low000200
fenspirideazaspiro compound2008201015.0low000200
fentanylanilide;
monocarboxylic acid amide;
piperidines
adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
2008200915.5low000200
fexofenadinepiperidines;
tertiary amine
anti-allergic agent;
H1-receptor antagonist
2010201612.0low000210
fipexidebenzodioxoles2010201612.0low000210
flavoxatecarboxylic ester;
flavones;
piperidines;
tertiary amino compound
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
2008201612.0low000110
flecainidearomatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines
anti-arrhythmia drug2008201613.8low000410
fleroxacindifluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines
antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
2008201314.0low000310
fluconazoleconazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
2008201613.1low000520
flucytosineaminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone
prodrug2008201613.5low000620
flufenamic acidaromatic amino acid;
organofluorine compound
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008201014.7low000300
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
201620234.5low000011
flumazenilethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
2008201613.2low000620
flunitrazepam1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes
anxiolytic drug;
GABAA receptor agonist;
sedative
2008200816.0low000100
fluorescitebenzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye
fluorescent dye;
radioopaque medium
2008201612.2medium000220
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
2008202312.1low000621
fluoxetine(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
2008201612.8low000420
fluphenazine depotdecanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
2008200816.0low000100
fluphenazine enanthatephenothiazines2008200816.0low000100
flurazepam1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound
anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
2008201612.0low000110
flurbiprofenfluorobiphenyl;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201612.0low000210
fluspirilenediarylmethane2010201014.0low000200
flutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
2010201612.3low000330
flutazolamhemiaminal ether;
organic molecular entity
2008200816.0medium000100
fomepizolepyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
201620168.0low000010
foscarnetcarboxylic acid;
one-carbon compound;
phosphonic acids
antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
2008201613.5low000510
furosemidechlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
2008201613.6low000720
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
2008201613.5low000510
gabexatebenzoate ester202320231.0low000001
gemfibrozilaromatic etherantilipemic drug2008201612.8low000420
glafenineaminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201612.0low000210
gliclazideN-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
2008201313.8low000310
glimepiridesulfonamide2008201613.2low000620
glipizidearomatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2008201613.0low000420
glutaraldialdehydecross-linking reagent;
disinfectant;
fixative
202320231.0low000001
glutethimidepiperidines2010201014.0low000200
glyburidemonochlorobenzenes;
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
2008201613.0low000420
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) esterbenzenes201620168.0medium000010
granisetronaromatic amide;
indazoles
2008201613.2low000310
guaifenesinmethoxybenzenes201620168.0low000010
guanethidineazocanes;
guanidines
adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
2008201612.0low000110
guanfacineacetamides2008201613.0low000420
guanidinecarboxamidine;
guanidines;
one-carbon compound
201620168.0low000010
fasudilisoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
202320231.0low000001
haloperidolaromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
2008202311.9low000521
hexachlorophenebridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
2010201014.0low000200
miltefosinephosphocholines;
phospholipid
anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
202320231.0low000001
hexobarbitalbarbiturates2008200915.5low000200
hexylresorcinolresorcinols200820238.5low000101
beta-thujaplicincyclic ketone;
enol;
monoterpenoid
antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
202320231.0low000001
homochlorocyclizinediarylmethane2008200816.0low000100
hycanthonethioxanthenesmutagen;
schistosomicide drug
201020239.7low000201
hydralazineazaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
2008201613.8low000310
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
201020239.6low000221
hydroflumethiazidebenzothiadiazine;
thiazide
antihypertensive agent;
diuretic
2008201613.0low000320
hydroxychloroquineaminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
2008201612.0low000110
hydroxyureaone-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
2008202311.6low000521
hydroxyzinehydroxyether;
monochlorobenzenes;
N-alkylpiperazine
anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
2008201612.0low000110
hypericin2008200816.0low000100
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
2008202312.0low000611
phenelzineprimary amine2010201612.0low000210
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
2008201613.5low000620
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
2008201613.1low000520
imipraminedibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2008201613.3low000420
amrinonebipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2008201613.5low000620
indapamideindoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
2010201611.0low000120
indomethacinaromatic 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
2008202311.9low000621
iodamidebenzoic acids;
organoiodine compound
radioopaque medium2008200816.0low000100
iohexolbenzenedicarboxamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
2008201313.5low000110
iopromidedicarboxylic acid diamide;
organoiodine compound
environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
2008200915.5low000200
iothalamic acidorganic molecular entity2008200816.0low000200
iodipamidebenzoic acids;
organoiodine compound;
secondary carboxamide
radioopaque medium2008200816.0low000100
ioversolamidobenzoic acid201620168.0low000010
iproniazidcarbohydrazide;
pyridines
2010201612.2low000320
avaproazaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1996202314.5low001631
isocarboxazidbenzenes2010201612.0low000210
isoniazidcarbohydrazideantitubercular agent;
drug allergen
2008201613.3low000520
isopropamide iodidediarylmethane2008200816.0low000100
isoproterenolcatechols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
2008201612.0low000110
isoxsuprinealkylbenzene2008201612.0low000110
isradipinebenzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
2008201612.5low000220
itraconazolepiperazines2008202311.3low000421
ketaminecyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
2008201612.2low000220
ketanserinaromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
2008201314.0low000410
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2008201612.8low000420
ketoprofenbenzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
2008201613.5low000510
ketorolacamino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate
analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2008201613.2low000310
ketotifencyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
2008201014.7low000300
kojic acid4-pyranones;
enol;
primary alcohol
Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
202320231.0low000001
labetalolbenzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
2008201613.8low000510
lamotrigine1,2,4-triazines;
dichlorobenzene;
primary arylamine
anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
2010201611.0low000120
lansoprazolebenzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2008201613.0low000420
lapachol202320231.0low000001
leflunomide(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide
antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
2008201612.6low000320
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2008201612.8low000320
lofepraminearomatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound
antidepressant2013201311.0low000010
lomefloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antimicrobial agent;
antitubercular agent;
photosensitizing agent
201620168.0low000010
lomustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
201320169.5low000020
loperamidemonocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
201620234.5low000011
loratadinebenzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
200820239.0low000121
lorazepambenzodiazepine2008201613.8low000410
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
1996202314.2low001721
loxapinedibenzooxazepineantipsychotic agent;
dopaminergic antagonist
2008201612.0low000110
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamidebenzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
202320231.0low000001
mafenidearomatic amine202320231.0low000001
maprotilineanthracenes2008201613.3low000520
mebendazolearomatic ketone;
benzimidazoles;
carbamate ester
antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
2008201613.1low000520
mecamylamineprimary aliphatic amine201620168.0low000010
mechlorethaminenitrogen mustard;
organochlorine compound
alkylating agent201620168.0low000010
meclizinediarylmethane201620168.0low000010
meclofenamic acidaminobenzoic acid;
organochlorine compound;
secondary amino compound
analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
201620168.0low000010
meclofenamate sodium anhydrousorganic sodium salt2010201014.0low000200
mefenamic acidaminobenzoic acid;
secondary amino compound
analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
2010201611.8low000220
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
2008201613.0low000310
vitamin k 31,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
2008201014.7low000300
mepenzolatediarylmethane201620168.0low000010
meperidineethyl ester;
piperidinecarboxylate ester;
tertiary amino compound
antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
2008201613.0low000210
mephenytoinimidazolidine-2,4-dioneanticonvulsant201620168.0low000010
mepivacainepiperidinecarboxamidedrug allergen;
local anaesthetic
2008201612.0low000110
meprobamateorganic molecular entity2008201613.0low000310
mesalamineamino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols
non-steroidal anti-inflammatory drug2008201612.0low000110
mesoridazinephenothiazines;
sulfoxide;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic
2008201612.0low000110
metaproterenolaralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
201620168.0low000010
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
2008201613.6low000720
methadonebenzenes;
diarylmethane;
ketone;
tertiary amino compound
2008201613.2low000310
methapyrileneethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
2008201015.0low000400
methazolamidesulfonamide;
thiadiazoles
201620234.5low000011
methocarbamolaromatic ether;
carbamate ester;
secondary alcohol
200820238.3low000111
methoxsalenaromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
201620168.0low000010
methyclothiazidebenzothiadiazine201620168.0low000010
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
2010201014.0low000200
methylphenidatebeta-amino acid ester;
methyl ester;
piperidines
2008201613.4low000410
methyprylonorganic molecular entity2008200816.0low000100
metoclopramidebenzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
2008201613.0low000420
metolazoneorganochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
2008201613.5low000510
metoprololaromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
2008201613.4low000520
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
2008201613.5low000620
metyraponearomatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
2008201612.0low000110
mexiletinearomatic ether;
primary amino compound
anti-arrhythmia drug2008201612.5low000220
mianserindibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
2008201014.7low000300
miconazoledichlorobenzene;
ether;
imidazoles
2010201014.0low000200
midazolamimidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
2008201613.4low000520
midodrineamino acid amide;
aromatic ether;
secondary alcohol
alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
201620168.0low000010
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2008201613.2low000310
minoxidildialkylarylamine;
tertiary amino compound
2010201611.0low000120
mirtazapinebenzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
2008201612.8low000320
mitotanediarylmethane201620168.0low000010
mitoxantronedihydroxyanthraquinoneanalgesic;
antineoplastic agent
2008202310.0low000211
moclobemidebenzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
2008201314.0low000410
modafinilmonocarboxylic acid amide;
sulfoxide
2008201612.0low000110
moxisylytemonoterpenoid2008201612.0low000110
entinostatbenzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
202320231.0low000001
acecainideacetamides;
benzamides
anti-arrhythmia drug2008201314.0low000310
ethylmaleimidemaleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
202320231.0low000001
nabumetonemethoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
201620234.5low000011
nadololtetralins2010201611.0medium000120
nafamostatbenzoic acids;
guanidines
202320231.0low000001
nalidixic acid1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
2008201612.6low000320
naratriptanheteroarylpiperidine;
sulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
2008201613.2low000310
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
2008201613.6low000720
nefopambenzoxazocine;
tertiary amino compound
2008201313.7low000210
neostigminequaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
2010201312.5low000110
nevirapinecyclopropanes;
dipyridodiazepine
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2008202311.3low000421
nialamideorganonitrogen compound;
organooxygen compound
201620168.0low000010
nicardipinebenzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
2008201613.0low000420
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
2008201613.1low000520
nilutamide(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone
androgen antagonist;
antineoplastic agent
201620168.0low000010
nimesulidearomatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2010201611.8low000220
nimetazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
2008200816.0low000100
nimodipine2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
2008201613.6low000720
nisoldipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
2008201613.1low000520
nitrazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
2008201314.3low000510
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
2008201314.4low000410
nitroglycerinnitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
201620168.0low000010
nizatidine1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
2008201613.2medium000310
nomifensineisoquinolinesdopamine uptake inhibitor2008201613.9low000610
norfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
201320169.5low000020
nortriptylineorganic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
2008201613.4low000520
ofloxacin3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
2008201613.3low000420
omeprazolearomatic ether;
benzimidazoles;
pyridines;
sulfoxide
2008202311.9low000521
ondansetroncarbazoles2008201612.6low000320
orphenadrineether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
201620168.0low000010
osalmideorganic molecular entity202320231.0low000001
oxamniquinearomatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
2008200816.0low000100
oxaprozin1,3-oxazoles;
monocarboxylic acid
analgesic;
non-steroidal anti-inflammatory drug
2010201611.8low000220
oxazepam1,4-benzodiazepinone;
organochlorine compound
anxiolytic drug;
environmental contaminant;
xenobiotic
2008201613.2low000310
oxethazaineamino acid amide202320231.0low000001
oxibendazolebenzimidazoles;
carbamate ester
2010201014.0low000200
oxiracetamorganonitrogen compound;
organooxygen compound
2008201015.0low000200
oxolinic acidaromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
2008200816.0low000100
oxybutyninacetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
2008201612.2low000220
aminosalicylic acidaminobenzoic acid;
phenols
antitubercular agent2010201612.0low000210
palmidrolendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine
anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
202320231.0low000001
pamidronatephosphonoacetic acid2008201613.0low000310
pantoprazolearomatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
2008201613.2low000310
papaverinebenzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines
antispasmodic drug;
vasodilator agent
2008202311.3low000421
4-dichlorobenzenedichlorobenzeneinsecticide2010201014.0low000200
pargylinearomatic amine2008201014.7low000300
pemoline1,3-oxazolescentral nervous system stimulant2010201611.8low000220
pentamidinearomatic 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
2008201612.2low000220
pentobarbitalbarbituratesGABAA receptor agonist2008201613.3low000210
pentoxifyllineoxopurine2008202311.0low000321
perhexilinepiperidinescardiovascular drug2008202310.6low000311
perphenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
2008201613.3low000420
phenacemideacetamides2008200816.0low000100
phenacetinacetamides;
aromatic ether
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
2008201314.2low000510
phenazopyridinediaminopyridine;
monoazo compound
anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
200820238.5low000101
phenindionearomatic ketone;
beta-diketone
anticoagulant2008200816.0low000100
pheniraminepyridines;
tertiary amino compound
2008200816.0low000100
phenobarbitalbarbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
2008201613.8low000510
phenolphthaleinphenols2008200816.0low000100
phenoxybenzaminearomatic amine201620168.0low000010
phentermineprimary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
2008201612.0low000110
4-phenylbutyric acidmonocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
201620234.5low000011
phenylbutazonepyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
2010201014.0low000200
phenylmethylsulfonyl fluorideacyl fluorideserine proteinase inhibitor202320231.0low000001
moxonidineorganohalogen compound;
pyrimidines
2008201015.0low000300
pimobendanbenzimidazoles;
pyridazinone
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
200820238.5low000101
pinacidilpyridines2010201014.0low000200
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
2008201613.6low000720
pioglitazonearomatic ether;
pyridines;
thiazolidinediones
antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
2010201612.2low000320
piracetamorganonitrogen compound;
organooxygen compound
2013201311.0low000010
piretanidearomatic ether2008200915.5low000200
piribedilN-arylpiperazine2013201311.0low000010
pj-34phenanthridines;
secondary carboxamide;
tertiary amino compound
angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
202320231.0low000001
polythiazidebenzothiadiazine201620168.0low000010
practololacetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug;
beta-adrenergic antagonist
2009201014.5low000200
duodotepyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
201620168.0low000010
ono 1078chromones2013201311.0low000010
pyranoprofenpyridochromene2008201313.5low000110
praziquantelisoquinolines201020239.6low000221
prazosinaromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2008201613.0low000420
prilocaineamino acid amide;
monocarboxylic acid amide
anticonvulsant;
local anaesthetic
2008200816.0low000100
primaquineaminoquinoline;
aromatic ether;
N-substituted diamine
antimalarial2008201612.2low000220
primidonepyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
2010201611.8low000220
probenecidbenzoic acids;
sulfonamide
uricosuric drug2008202312.1low000621
probucoldithioketal;
polyphenol
anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
201020239.7low000201
procainamidebenzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
2008201613.4low000520
procarbazinebenzamides;
hydrazines
antineoplastic agent201620168.0low000010
prochlorperazineN-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
2008201612.2low000220
procyclidinepyrrolidines;
tertiary alcohol
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
2008201612.2low000220
proglumidebenzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate
anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
2008200816.0low000100
promazinephenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
2008202311.0low000201
promethazinephenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
2008202311.6low000421
propafenonearomatic ketone;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug2008201611.7low000120
propanthelinexanthenes201620168.0low000010
propiomazinearomatic ketone;
phenothiazines;
tertiary amino compound
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
2008200816.0low000100
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2008201613.0low000310
propranololnaphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
2008202312.3low000721
protriptylinecarbotricyclic compoundantidepressant2008201612.0low000110
proxyphyllineoxopurine2008200816.0low000100
pyridostigminepyridinium ion2008201613.2medium000310
pyrimethamineaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
2008201613.0low000310
sch 16134benzodiazepine201620168.0low000010
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
201620168.0low000010
rabeprazolebenzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2008201613.2low000310
raloxifene1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2010201612.0low000210
ranitidinearalkylamine2008201314.0low000510
riluzolebenzothiazoles2010201611.8low000220
rimantadinealkylamine201620234.5low000011
risperidone1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
2008201613.2low000620
rizatriptantryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2008201613.8low000310
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2008201313.7low000210
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
202320231.0low000001
ropiniroleindolones;
tertiary amine
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
201620168.0low000010
salicylsalicylic acidbenzoate 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
2008201612.0low000110
scriptaidisoquinolines202320231.0low000001
sebacic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
human metabolite;
plant metabolite
202320231.0low000001
secobarbitalbarbituratesanaesthesia adjuvant;
GABA modulator;
sedative
2008201612.0low000110
sibutramineorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
201620168.0low000010
sulfadiazinepyrimidines;
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
2008201613.0low000420
ipodate2008200816.0low000100
risedronic acidpyridines2008201613.2low000310
sotalolethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide
anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
2008201613.4low000520
fenofibratebenzochromenone;
delta-lactone;
naphtho-alpha-pyrone
platelet aggregation inhibitor;
Sir2 inhibitor
202320231.0low000001
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
2008202310.8low000321
vorinostatdicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
2008201611.7low000120
succinylcholinequaternary ammonium ion;
succinate ester
drug allergen;
muscle relaxant;
neuromuscular agent
2008201612.0low000110
sulfabenzamidebenzenes;
sulfonamide antibiotic;
sulfonamide
antibacterial drug;
antimicrobial drug
2010201014.0low000200
sulfadimethoxinearomatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
2008200816.0low000100
sulfamethizolesulfonamide antibiotic;
sulfonamide;
thiadiazoles
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
2010201612.0low000210
sulfamethoxazoleisoxazoles;
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
2008201314.3low000510
sulfanilamidesubstituted aniline;
sulfonamide antibiotic;
sulfonamide
antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2010201014.0low000200
sulfanitransulfonamide2013201311.0low000010
sulfasalazine2010201612.5low000420
sulfathiazole1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
201620168.0low000010
sulfinpyrazonepyrazolidines;
sulfoxide
uricosuric drug2008201014.6low000500
sulfisoxazoleisoxazoles;
sulfonamide antibiotic;
sulfonamide
antibacterial drug;
drug allergen
2008201314.0low000410
sulfobromophthalein2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols
dye2008201015.0low000200
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene201620168.0low000010
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
2009201014.5low000200
sumatriptansulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
2008201613.6low000720
suprofenaromatic ketone;
monocarboxylic acid;
thiophenes
antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
2008202311.5low000301
suraminnaphthalenesulfonic acid;
phenylureas;
secondary carboxamide
angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
2008201015.2low000400
gatifloxacinN-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2008201314.0low000510
tazaroteneacetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane
keratolytic drug;
prodrug;
teratogenic agent
2013201311.0low000010
telenzepinebenzodiazepine2010201014.0low000100
temazepambenzodiazepine201620168.0low000010
temozolomideimidazotetrazine;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
prodrug
2008201612.2low000220
terazosinfurans;
piperazines;
primary amino compound;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2008201613.3low000420
terbutalinephenylethanolamines;
resorcinols
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
2008201613.4low000520
terfenadinediarylmethane2010201313.0low000210
thalidomidephthalimides;
piperidones
2008202310.2low000211
thiabendazole1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
201620168.0low000010
thioridazinephenothiazines;
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
2008201612.0low000110
thiotepaaziridines2008201612.8low000320
tiapridebenzamides2013201311.0low000010
tiaramidebenzothiazoles2008200816.0low000100
ticlopidinemonochlorobenzenes;
thienopyridine
anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2008202310.6low000311
tiloronearomatic ether;
diether;
fluoren-9-ones;
tertiary amino compound
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
2008201313.7low000210
tinidazoleimidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
2008201612.8low000320
tioproninN-acyl-amino acid2008201612.0low000110
tizanidinebenzothiadiazole;
imidazoles
alpha-adrenergic agonist;
muscle relaxant
2008201613.4low000520
nikethamidepyridinecarboxamide2013201311.0low000010
tolazamideN-sulfonylureahypoglycemic agent;
potassium channel blocker
2010201612.0low000210
tolbutamideN-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
2008201613.2low000620
tolmetinaromatic ketone;
monocarboxylic acid;
pyrroles
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
2010201612.0low000210
tolnaftatemonothiocarbamic esterantifungal drug2013201311.0low000010
tolperisonearomatic ketone2008200816.0low000100
ultramaromatic ether;
tertiary alcohol;
tertiary amino compound
2008201613.8medium000410
tranexamic acidamino acid2008201612.0low000110
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2008201612.6low000320
triamterenepteridinesdiuretic;
sodium channel blocker
2008202310.8low000321
triazolamtriazolobenzodiazepinesedative2008201613.2low000310
trichlormethiazidebenzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
2008200816.0low000100
trifluoperazineN-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
201020239.2low000211
trifluperidolaromatic ketone2008200816.0low000100
triflupromazineorganofluorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
202320231.0low000001
trigonellinealkaloid;
iminium betaine
food component;
human urinary metabolite;
plant metabolite
202320231.0low000001
trihexyphenidylamine201620168.0low000010
trimebutinetrihydroxybenzoic acid2008200816.0low000100
trimethadioneoxazolidinoneanticonvulsant;
geroprotector
2008201613.0low000310
trimethobenzamidebenzamides;
tertiary amino compound
antiemetic201620234.5low000011
trimethoprimaminopyrimidine;
methoxybenzenes
antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
2008202312.3low000721
trimetrexate2008201613.0low000210
trimipraminedibenzoazepine;
tertiary amino compound
antidepressant;
environmental contaminant;
xenobiotic
2008201613.3low000210
tripelennaminearomatic amine2008200816.0low000100
troglitazonechromanes;
thiazolidinone
anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
2008201612.8low000420
thenoyltrifluoroacetone2013201311.0low000010
tyraminemonoamine molecular messenger;
primary amino compound;
tyramines
EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
201620168.0low000010
tyrphostin a9alkylbenzenegeroprotector202320231.0low000001
delavirdineaminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide
antiviral drug;
HIV-1 reverse transcriptase inhibitor
200820238.3low000111
undecylenic acidundecenoic acidantifungal drug;
plant metabolite
2013201311.0low000010
urapidilpiperazines2008201313.8low000310
venlafaxinecyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound
adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
2008201613.4medium000520
vesnarinoneorganic molecular entity202320231.0low000001
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
201320169.5low000020
viloxazinearomatic ether2008200816.0low000100
pirinixic acidaryl sulfide;
organochlorine compound;
pyrimidines
2010201313.0low000210
ici 204,219carbamate ester;
indoles;
N-sulfonylcarboxamide
anti-asthmatic agent;
leukotriene antagonist
2010201611.8low000220
zaleplonnitrile;
pyrazolopyrimidine
anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
2008201612.8low000320
zolpidemimidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
2008201613.4low000520
zomepiracaromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles
cardiovascular drug;
non-steroidal anti-inflammatory drug
2010201014.0low000200
zonisamide1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
2010201611.0low000120
zopiclonemonochloropyridine;
pyrrolopyrazine
central nervous system depressant;
sedative
2008201314.0low000310
cortisone acetatecorticosteroid hormone201620168.0low000010
mitomycinmitomycinalkylating agent;
antineoplastic agent
201620168.0low000010
oxyphenoniumacylcholine2010201014.0low000200
prednisolone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
2008201613.0low000420
lysergic acid diethylamideergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound
dopamine agonist;
hallucinogen;
serotonergic agonist
2008200816.0low000100
reserpinealkaloid 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
2010201611.0low000120
cephaloridinebeta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug2008201014.7low000300
phentolamineimidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
2008201612.0low000110
sorbitolglucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
2008201613.0low000310
floxuridinenucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
2008201014.7low000300
isoproterenol hydrochloridecatechols2010201014.0low000200
thyroxine2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
201620168.0low000010
dextroamphetamine1-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
201620168.0low000010
norethindrone acetate3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound
progestin;
synthetic oral contraceptive
2008200816.0low000100
spironolactone3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2010201612.0low000210
cyclobarbitalbarbiturates2008200816.0low000100
penicillaminenon-proteinogenic alpha-amino acid;
penicillamine
antirheumatic drug;
chelator;
copper chelator;
drug allergen
201320169.5low000020
norethandrolonecorticosteroid hormone2008200816.0low000100
cysteinecysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid
EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
201620168.0low000010
prednisone11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
2008201613.5low000510
estrone17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
2010201612.0low000210
oxandrolone17beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid
anabolic agent;
androgen
2008201612.0low000110
promazine hydrochloridehydrochloride2010201014.0low000200
2-acetylaminofluorene2-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
2010201014.0low000100
penicillin gpenicillin allergen;
penicillin
antibacterial drug;
drug allergen;
epitope
2008201613.0low000210
idoxuridineorganoiodine compound;
pyrimidine 2'-deoxyribonucleoside
antiviral drug;
DNA synthesis inhibitor
201020239.7low000201
pilocarpinepilocarpineantiglaucoma drug2008201613.0low000310
triiodothyronine2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
2010201612.0low000210
isonicotinic acidpyridinemonocarboxylic acidalgal metabolite;
human metabolite
2010201014.0medium000100
carbon tetrachloridechlorocarbon;
chloromethanes
hepatotoxic agent;
refrigerant
2010201313.2low000310
desoxycorticosterone acetatecorticosteroid hormone2008200816.0low000100
chloramphenicolC-nitro compound;
carboxamide;
diol;
organochlorine compound
antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
2008202311.9low000521
glutamineamino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
201620168.0low000010
lysineaspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid
algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
200820238.5low000101
vincristineacetate 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
2008201612.0low000110
physostigminecarbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
2010201612.5low000310
ethinyl estradiol17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen2008201314.2low000410
tubocurarinebisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
2010201312.5low000110
apomorphineaporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
2008201612.2low000220
methyltestosterone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone
anabolic agent;
androgen;
antineoplastic agent
201620168.0low000010
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
2010201014.0medium000200
tetrabenazinebenzoquinolizine;
cyclic ketone;
tertiary amino compound
201620168.0low000010
cephalothinazabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes
antibacterial drug;
antimicrobial agent
2008200816.0low000100
kanamycin akanamycinsbacterial metabolite2008201612.2low000220
levodopaamino 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
2008201314.0low000410
edetic acidethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
201620168.0low000010
phenylethyl alcoholbenzenes;
primary alcohol
Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
202320231.0low000001
cysteamineamine;
thiol
geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
2008201612.0low000110
acetylcholine chloridequaternary ammonium salt2010201612.0medium000210
mepazinephenothiazines201620168.0low000010
methoxamine hydrochloridedimethoxybenzene2010201014.0medium000200
methicillinpenicillin allergen;
penicillin
antibacterial drug2008200915.5low000200
cloxacillinpenicillin allergen;
penicillin;
semisynthetic derivative
antibacterial agent;
antibacterial drug
2010201611.0low000110
bretylium tosylateorganosulfonate salt;
quaternary ammonium salt
adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
2008200816.0low000100
zoxazolaminebenzoxazole202320231.0low000001
leucineamino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2008200816.0low000100
calcium acetatecalcium saltchelator201620168.0low000010
dimethylnitrosaminenitrosaminegeroprotector;
mutagen
2010201014.0low000200
lactoselactose2010201014.0low000200
primaquine phosphate2010201014.0medium000200
methionineaspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid
antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
201620168.0low000010
colchicinealkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
2008201612.8low000420
gallamine triethiodide2008201014.7low000300
mebanazinebenzenes201620168.0low000010
uracil mustardaminouracil;
nitrogen mustard
2010201014.0low000200
oxacillinpenicillinantibacterial agent;
antibacterial drug
2008201613.0low000210
cycloheximideantibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
202320231.0low000001
ficusinpsoralensplant metabolite202320231.0low000001
chloroformchloromethanes;
one-carbon compound
carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
2010201014.0low000200
triamcinolone diacetatecorticosteroid hormone2013201311.0low000010
dimethylformamideformamides;
volatile organic compound
geroprotector;
hepatotoxic agent;
polar aprotic solvent
2010201014.0low000100
norethindrone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
progestin;
synthetic oral contraceptive
2010201014.0low000300
cycloserine4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
201620168.0low000010
benziodaronearomatic ketone201620168.0low000010
tubercidinantibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside
antimetabolite;
antineoplastic agent;
bacterial metabolite
202320231.0low000001
ampicillinbeta-lactam antibiotic;
penicillin allergen;
penicillin
antibacterial drug2008201613.2low000310
mannitolmannitolallergen;
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
201620168.0low000010
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
2008201611.7low000120
trifluridinenucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
202320231.0low000001
4-hydroxypropiophenoneacetophenones2008200816.0low000100
medroxyprogesterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester
adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
2010201313.0low000210
mestranol17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound
prodrug;
xenoestrogen
2010201014.0low000200
methandrostenoloneorganic molecular entity2008200816.0low000100
quinethazonequinazolinesantihypertensive agent;
diuretic
2008200816.0low000100
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2010201612.0low000210
tribromoethanolalcohol;
organobromine compound
2008200816.0low000100
perflutrenfluoroalkane;
fluorocarbon
201620168.0low000010
triamcinolone acetonide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
2008201313.5low000110
fluoxymesterone11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid
anabolic agent;
antineoplastic agent
201620168.0low000010
mepenzolate bromidediarylmethane2008200816.0low000100
phencyclidinebenzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
2008201015.0low000300
methsuximideorganic molecular entity201620168.0low000010
carbromalN-acylurea2008200816.0low000100
tromethamineprimary amino compound;
triol
buffer2010201612.0low000210
triparanolstilbenoidanticoronaviral agent2008200816.0low000100
trichloroethylenechloroethenesinhalation anaesthetic;
mouse metabolite
2010201014.0low000200
dichloroacetic acidmonocarboxylic acid;
organochlorine compound
astringent;
marine metabolite
2008200816.0low000100
pantothenic acidpantothenic acid;
vitamin B5
antidote to curare poisoning;
geroprotector;
human blood serum metabolite
2008200816.0low000100
cyclizineN-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
2008201014.7low000300
buclizinemonochlorobenzenes;
N-alkylpiperazine
antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic
2008200816.0low000100
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
2008201612.8low000320
rotenoneorganic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
2010201313.0low000210
thiopropazateacetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2008200816.0low000100
9,10-anthraquinoneanthraquinone202320231.0low000001
diquatorganic cationdefoliant;
herbicide
2010201014.0low000100
acetrizoic acidaminobenzoic acid2008200816.0low000100
brompheniramineorganobromine compound;
pyridines
anti-allergic agent;
H1-receptor antagonist
201620168.0low000010
penicillin vpenicillin allergen;
penicillin
2008201613.8low000410
salicylanilidebenzanilide fungicide;
salicylamides;
salicylanilides
202320231.0low000001
isosorbide dinitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2008201613.0low000310
gramineaminoalkylindole;
indole alkaloid;
tertiary amino compound
antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
202320231.0low000001
hexachlorobutadieneorganochlorine compound2010201014.0low000100
aminacrineaminoacridines;
primary amino compound
acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
202320231.0low000001
pseudoephedrinephenylethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2008201612.0low000110
diethylpropionaromatic ketone;
tertiary amine
appetite depressant201620168.0low000010
phenothiazinephenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
2010201014.0low000200
propylparabenbenzoate ester;
paraben;
phenols
antifungal agent;
antimicrobial agent
2008200816.0low000100
2-bromophenolbromophenolmarine metabolite2010201014.0low000200
methyl gallategallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
202320231.0low000001
3-dinitrobenzenedinitrobenzeneneurotoxin2010201014.0low000100
methylparabenparabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
2008200816.0low000100
pyridostigmine bromidepyridinium salt2010201014.0low000200
4,4'-diaminodiphenylmethanearomatic amineallergen;
carcinogenic agent
2010201014.0low000200
monobenzonebenzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
202320231.0low000001
phenylisothiocyanateisothiocyanateallergen;
reagent
2010201014.0low000200
benzonatatebenzoate ester;
secondary amino compound;
substituted aniline
anaesthetic;
antitussive
201620168.0low000010
4-bromophenolbromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
2010201014.0low000200
2-bromoethylamine2010201014.0low000200
allyl alcoholprimary allylic alcohol;
propenol
antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
2010201014.0low000200
bromobenzenebromoarene;
bromobenzenes;
volatile organic compound
hepatotoxic agent;
mouse metabolite;
non-polar solvent
2010201014.0low000200
n-pentanoic acidshort-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite2010201014.0low000100
ergotaminepeptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
2008200816.0low000100
estradiol dipropionatesteroid ester2008200816.0low000100
methylergonovineergoline alkaloid201620168.0low000010
imipramine hydrochloridehydrochlorideantidepressant2010201014.0low000200
neostigmine bromidebromide salt2008201015.0low000200
phenforminbiguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
2010201312.5low000110
mephobarbitalbarbituratesanticonvulsant2010201014.0low000200
paramethadioneoxazolidinoneanticonvulsant2008200816.0low000100
edrophonium chloridechloride salt;
quaternary ammonium salt
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
2010201014.0low000200
framycetinaminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
2008201015.0low000200
di-n-pentyl phthalatediester;
phthalate ester
plasticiser2010201014.0medium000200
cinchophenquinolines2010201612.0low000210
phenazopyridine hydrochloridehydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
2010201014.0low000200
tetrracaine hydrochloridebenzoate ester2010201014.0low000200
anileridineethyl ester;
piperidinecarboxylate ester;
substituted aniline
opioid analgesic;
opioid receptor agonist
2008200816.0low000100
diphenhydramine hydrochloridehydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
2010201014.0low000200
nafcillinpenicillin allergen;
penicillin
antibacterial drug2008201613.0low000210
ditiocarbdithiocarbamic acidschelator;
copper chelator
200820238.5low000101
methohexitalacetylenic compound;
barbiturates
drug allergen;
intravenous anaesthetic
2008201612.0low000110
sulfalenepyrazines;
sulfonamide antibiotic;
sulfonamide
2008200816.0low000100
catechincatechinantioxidant;
plant metabolite
202320231.0low000001
tripelennamine hydrochloride2010201014.0high000200
ethynodiol diacetatesteroid ester;
terminal acetylenic compound
contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive
2010201014.0low000200
propantheline bromidexanthenes2008200816.0low000100
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2008201612.0low000110
hydrazineazane;
hydrazines
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor2010201014.0low000200
chlormadinone acetatecorticosteroid hormone2008200816.0low000100
pirinitramidenitrile2008200915.5low000200
edrophonium bromide2008200816.0medium000100
norchlorcyclizine2008200816.0low000100
evans blueorganic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
2008200816.0low000100
monocrotalinepyrrolizidine alkaloid2010201014.0low000200
opipramoldibenzoazepine2008200816.0low000100
aminophyllinemixturebronchodilator agent;
cardiotonic drug
201320169.5low000020
azacitidineN-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent2008202310.6low000311
carbutamidebenzenes;
sulfonamide
2008200816.0low000100
glymidinediether;
pyrimidines;
sulfonamide
hypoglycemic agent2008200816.0medium000100
pseudoephedrine hydrochloridehydrochlorideplant metabolite2010201014.0medium000200
galantaminebenzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
2008201612.8low000320
nandrolone decanoatesteroid ester201620168.0low000010
procarbazine hydrochloridehydrochlorideantineoplastic agent2010201313.0medium000210
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanaminearomatic amine2008200816.0medium000100
betamethasone11beta-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
2008201314.0low000510
prenylaminediarylmethane2008200816.0low000100
cyproterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester
androgen antagonist;
geroprotector;
progestin
2010201014.0low000200
lithocholic acidbile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid
geroprotector;
human metabolite;
mouse metabolite
2010201014.0low000200
nandrolone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid
human metabolite2008200816.0low000100
thiazolidine-4-carboxylic acidalpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid
antidote;
antioxidant;
hepatoprotective agent
2008200816.0low000100
chlorphentermineamphetamines2008200816.0low000100
dextropropoxyphene1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
2008201613.3low000210
ketobemidonepiperidines2008200816.0low000100
chenodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
2010201612.0low000210
lucanthonethioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
200820238.5low000101
dichloralantipyrine2008200816.0low000100
cepharanthinebisbenzylisoquinoline alkaloid;
isoquinolines
202320231.0low000001
aloe emodinaromatic primary alcohol;
dihydroxyanthraquinone
antineoplastic agent;
plant metabolite
202320231.0low000001
chrysophanic aciddihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
202320231.0low000001
emetineisoquinoline alkaloid;
pyridoisoquinoline
antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
2008202310.5low000211
ostholbotanical anti-fungal agent;
coumarins
metabolite202320231.0low000001
dihydralazinephthalazines2008200816.0low000100
flavanoneflavanones202320231.0low000001
phloretic acidhydroxy monocarboxylic acidplant metabolite202320231.0low000001
4-hydroxybutyric acid4-hydroxy monocarboxylic acid;
hydroxybutyric acid
general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
201620168.0low000010
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite202320231.0low000001
dihydroergotamineergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
201620168.0low000010
methallenestrilnaphthalenes2008200816.0low000100
medroxyprogesterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
contraceptive drug;
progestin;
synthetic oral contraceptive
201620168.0low000010
androstenediol17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid
androgen;
human metabolite;
mouse metabolite;
radiation protective agent
2008200816.0low000100
angelicinfuranocoumarin202320231.0low000001
dimenhydrinatediarylmethane201320169.5low000020
chlormethiazolethiazoles2008200915.5low000200
diperodoncarbamate ester202320231.0low000001
methamphetamineamphetamines;
secondary amine
central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
2008201612.0low000110
levocarnitinecarnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
2008201612.0medium000110
decamethonium dibromide2008200816.0low000100
sulfanilylureabenzenes;
sulfonamide
201620168.0low000010
thiphenamildiarylmethane2008200816.0low000100
amitriptyline hydrochlorideorganic tricyclic compound2010201014.0low000200
1-naphthylisothiocyanateisothiocyanateinsecticide2010201313.2low000310
lithium carbonatecarbonate salt;
lithium salt
antimanic drug2008200816.0low000100
metahexamidebenzenes;
sulfonamide
2008200816.0low000100
phenindamineindene2008200816.0low000100
lactuloseglycosylfructosegastrointestinal drug;
laxative
201620168.0low000010
isoxsuprine hydrochloridealkylbenzene2010201014.0low000200
betaine hydrochloride2010201014.0medium000200
megestrol acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
201320236.0low000011
pamabrom201620168.0low000010
2-amino-2-methyl-1-propanol2008200816.0low000100
acetylcysteineacetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid
antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
2008202310.6low000311
3-hydroxyacetanilideacetamides;
phenols
non-narcotic analgesic2010201014.0low000200
methoxyacetic acidether;
monocarboxylic acid
antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
2010201014.0low000200
phendimetrazine2008200816.0low000100
trimetozinemorpholines2008200816.0low000100
erythromycincyclic ketone;
erythromycin
2008201613.5low000620
butaperazinephenothiazines2008200816.0low000100
hydroxychloroquine sulfate201320236.0medium000011
levonorgestrel17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
2008201611.7low000120
lormetazepam1,4-benzodiazepinone;
organochlorine compound
sedative2008201015.0low000300
vinblastine2008201015.2low000400
diphenoxylateethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine
antidiarrhoeal drug201620168.0low000010
oxolamineoxadiazole;
ring assembly
2008200816.0low000100
ethylestrenol17beta-hydroxy steroid;
tertiary alcohol
anabolic agent2008200816.0low000100
cyproheptadine hydrochloride (anhydrous)hydrochloride2010201014.0medium000200
ethambutol hydrochloridehydrochlorideantitubercular agent2013201311.0low000010
ethambutolethanolamines;
ethylenediamine derivative
antitubercular agent;
environmental contaminant;
xenobiotic
2008202310.0low000211
metformin hydrochloridehydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
202320231.0low000001
dehydroepiandrosterone acetatesteroid ester2008200816.0low000100
antimycin abenzamides;
formamides;
macrodiolide;
phenols
antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
201020238.7low000111
vancomycinglycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
2008201613.5low000510
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
201620168.0low000010
pregnenolone carbonitrilealiphatic nitrile2010201312.5low000110
ibufenacmonocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201612.0low000210
metylperonaromatic ketone2008201313.5low000110
metaxalonearomatic ether2008201612.0low000110
spectinomycincyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound
antibacterial drug;
antimicrobial agent;
bacterial metabolite
2008201613.3low000210
2,3,7,8-tetrachlorodibenzodioxinepolychlorinated dibenzodioxine2010201014.0low000100
5,5'-dimethyl-2,2'-bipyridylbipyridines202320231.0medium000001
dichlorobenzyl alcoholbenzyl alcohols;
dichlorobenzene
antiseptic drug202320231.0low000001
paraquatorganic cationgeroprotector;
herbicide
2008201014.7low000300
dronabinolbenzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
2008201612.0low000110
amiloridearomatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
201620168.0low000010
clothiapinedibenzothiazepine2008200816.0low000100
pimozidebenzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
2010201612.0low000210
benperidolaromatic ketone2008200816.0low000100
azaribineacetate ester;
N-glycosyl-1,2,4-triazine
antipsoriatic;
prodrug
2008200816.0low000100
dexbrompheniraminebrompheniramineanti-allergic agent;
H1-receptor antagonist
201620168.0low000010
sulfadoxinepyrimidines;
sulfonamide
antibacterial drug;
antimalarial
2008200816.0low000100
acetophenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines
phenothiazine antipsychotic drug2008200816.0low000100
chlordesmethyldiazepambenzodiazepine2008200816.0low000100
stavudinedihydrofuran;
nucleoside analogue;
organic molecular entity
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
2008202311.3low000421
doxifluridineorganofluorine compound;
pyrimidine 5'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
prodrug
2008201015.0low000300
dicloxacillindichlorobenzene;
penicillin
antibacterial drug2008201613.0low000420
megestrol17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
201620168.0low000010
cephaloglycinbeta-lactam antibiotic allergen;
cephalosporin
antimicrobial agent2008200816.0low000100
streptomycinantibiotic antifungal drug;
antibiotic fungicide;
streptomycins
antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
2008201613.6low000410
dideoxyadenosineadenosines;
purine 2',3'-dideoxyribonucleoside
EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor
202320231.0low000001
clonidine hydrochloridedichlorobenzene2010201014.0medium000200
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
2008201613.0low000420
ethylene dimethanesulfonate2010201014.0low000200
carbenicillinpenicillin allergen;
penicillin
antibacterial drug2008201613.0low000210
noxiptilinorganic tricyclic compound2008200816.0medium000100
benorilatecarbonyl compound2008200816.0low000100
metocurineisoquinolines2008201313.7low000210
floxacillinpenicillin allergen;
penicillin
antibacterial drug2008200915.7low000300
clomacranacridines2008201612.0medium000110
mexiletine hydrochloridehydrochlorideanti-arrhythmia drug2010201014.0low000200
beclomethasone dipropionate11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester
anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
2008201014.7medium000300
vidarabinebeta-D-arabinoside;
purine nucleoside
antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
201020239.7low000201
iprindoleindoles2008200816.0low000100
methenamine hippurateN-acylglycine201620168.0low000010
isometheptenesecondary amino compound2008200816.0low000100
olsalazineazobenzenes;
dicarboxylic acid
non-steroidal anti-inflammatory drug;
prodrug
2008201613.5low000310
3-deazaadenosine202320231.0low000001
terodilinediarylmethane2008201015.0low000300
1-(4-carboxyphenyl)-3,3-dimethyltriazene2008200816.0low000100
metoclopramide hydrochloride2010201014.0medium000200
etidronate disodiumorganic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
2013201311.0low000010
molindoneindoles2008200816.0low000100
zalcitabinepyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2008202311.7low000411
hexocycliumamine2008200816.0low000100
metocurine iodidearomatic ether2008200915.5medium000200
camptothecindelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
2010201312.5low000110
sodium thiosulfateinorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
201620168.0low000010
ancitabinediol;
organic heterotricyclic compound
antimetabolite;
antineoplastic agent;
prodrug
200820238.5low000101
clortermineamphetamines2008200816.0medium000100
chloropyramineaminopyridine202320231.0low000001
carbendazimbenzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
2010201014.0low000200
nicofuranoseorganooxygen compound2008200816.0medium000100
mafenide acetatecarboxylic acid2013201311.0medium000010
ethionineS-ethylhomocysteineantimetabolite;
carcinogenic agent
2010201014.0low000200
apazonebenzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
2008200816.0low000200
diacereinanthraquinone2013201311.0low000010
cloforexamphetamines2008200816.0low000100
selegilineselegiline;
terminal acetylenic compound
geroprotector2008201613.8low000410
selegiline hydrochloride, (r)-isomerhydrochloride;
terminal acetylenic compound
antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2010201312.5medium000110
levamisole6-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
200820238.5low000101
clobutinolbenzenes;
organic amino compound
2008200816.0low000100
clemastinemonochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
201620168.0low000010
thiamphenicolmonocarboxylic acid amide;
sulfone
antimicrobial agent;
immunosuppressive agent
2008201313.5low000110
pancuronium bromidebromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
2013201311.0medium000010
cephalexinbeta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug2008201613.2low000310
isosorbide-5-mononitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2008201015.2low000400
n'-nitrosonornicotinepyridines;
pyrrolidines
202320231.0low000001
ornidazoleC-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol
antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
2013201311.0low000010
danazol17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
2010201611.8low000220
fenclozic acid201620168.0low000010
laxagetten 4,4'-diacetoxydiphenylpyridylemethane201620168.0medium000010
daunorubicinaminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones
antineoplastic agent;
bacterial metabolite
201620234.5low000011
razoxaneN-alkylpiperazine2008200816.0low000100
cephapirincephalosporinantibacterial drug2008200816.0low000100
fludarabine phosphatenucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate
antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
2008201611.7low000120
disopyramide phosphateorganoammonium phosphate2010201014.0medium000200
alclofenacaromatic ether;
monocarboxylic acid;
monochlorobenzenes
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
201620168.0medium000010
bromocriptineindole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
201620168.0low000010
oxyphenisatinindoles201620168.0low000010
fludrocortisone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid
adrenergic agent;
anti-inflammatory drug
201620168.0low000010
ursodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
2010201612.0low000210
pregnanolone3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid
human metabolite;
intravenous anaesthetic;
sedative
2008200816.0low000100
butylated hydroxytoluenephenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2010201014.0low000200
proquazonepyrimidines2008200816.0low000100
benzonidazoleC-nitro compound;
imidazoles;
monocarboxylic acid amide
antiprotozoal drug2013201311.0low000010
halazepamorganic molecular entity2008200816.0low000100
du-21220benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
2008200816.0low000100
dexchlorpheniraminechlorphenamine201620168.0low000010
ribostamycinamino cyclitol glycoside;
aminoglycoside antibiotic
antibacterial drug;
antimicrobial agent;
metabolite
2008200816.0low000100
clometacinN-acylindole201620168.0low000010
cefazolinbeta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles
antibacterial drug2008201613.2low000310
ripazepambenzenes2008200816.0medium000100
amoxicillinpenicillin allergen;
penicillin
antibacterial drug2008201613.5low000620
timololtimololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
2008201613.0low000420
indoramintryptamines2008201314.2low000310
oxcarbazepinecyclic ketone;
dibenzoazepine
anticonvulsant;
drug allergen
201320169.5low000020
carbidopacatechols;
hydrazines;
monocarboxylic acid
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
201320169.5medium000020
toloxatoneoxazolidinone;
primary alcohol;
toluenes
2008200915.5low000200
moricizine hydrochloridehydrochlorideanti-arrhythmia drug2010201014.0medium000200
moricizinecarbamate ester;
morpholines;
phenothiazines
anti-arrhythmia drug2008201612.0low000110
amineptinamino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound
antidepressant;
dopamine uptake inhibitor
201620168.0low000010
zidovudineazide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2008202311.9low000521
feprazoneorganic molecular entity2008201313.5low000110
pirprofenpyrroline2010201612.0low000210
sisomicinamino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative
2008200915.5low000200
serentilorganosulfonate saltdopaminergic antagonist;
first generation antipsychotic
2010201014.0high000200
amdinocillinpenicillinantibacterial drug;
antiinfective agent
2008200816.0low000100
tobramycinamino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
2008201314.3low000510
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
2008201613.1low000520
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
2008201613.4low000620
propafenone hydrochloridehydrochlorideanti-arrhythmia drug2010201014.0medium000200
dobutaminecatecholamine;
secondary amine
beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
201620168.0low000010
ticarcillinpenicillin allergen;
penicillin
antibacterial drug2008200915.5low000200
trimazosinN-arylpiperazine2008200816.0low000100
halofantrinephenanthrenes2008200816.0low000100
penbutololethanolamines201620168.0low000010
etidocaineamino acid amidelocal anaesthetic2008200816.0low000100
ribavirin1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide
anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
2008202311.9low000521
adinazolamtriazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
2008201015.0low000300
amikacinalpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide
antibacterial drug;
antimicrobial agent;
nephrotoxin
2008201613.0low000320
tolamolol2008200816.0low000100
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2010201412.7high000210
cephradinebeta-lactam antibiotic allergen;
cephalosporin
antibacterial drug2008201613.5low000510
ticrynafenaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes
antihypertensive agent;
hepatotoxic agent;
loop diuretic
2010201612.2low000220
methyldopaL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
2008201613.9low000610
pyridoxal phosphatepyridinecarbaldehyde202320231.0medium000001
tocainidemonocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
2008201015.0low000300
sulbenicillinpenicillin2008200915.5low000200
bezafibratearomatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
2010201014.0low000200
sq-117252008201014.6low000500
diltiazem5-[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
2008201613.0low000420
nonachlazine2010201014.0low000100
vecuronium bromideorganic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
2008201313.5low000110
vecuroniumacetate ester;
androstane;
quaternary ammonium ion
drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
201620168.0medium000010
benoxaprofen1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes
antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
2010201612.0low000210
permethrincyclopropanecarboxylate ester;
cyclopropanes
agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
2010201014.0low000200
exifonebenzophenones201620168.0low000010
mefloquine[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial201620168.0low000010
flecainide acetateacetate saltanti-arrhythmia drug2010201014.0medium000200
meptazinolazepanes2008200915.5low000200
nicardipine hydrochloridedihydropyridinegeroprotector2010201014.0low000200
nitazoxanidebenzamides;
carboxylic ester
201320236.7low000021
sufentanilanilide;
ether;
piperidines;
thiophenes
anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
2008201613.2low000310
acarbosetetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
201320169.5low000020
torsemideaminopyridine;
N-sulfonylurea;
secondary amino compound
antihypertensive agent;
loop diuretic
2008201613.2low000310
medroxalolsalicylamides2008200816.0low000100
epirubicinaminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2008201613.8low000510
cefmetazolecephalosporinantibacterial drug2008200816.0low000100
indacrinone2010201014.0low000200
prenalterolaromatic ether2008200816.0low000100
lorcainideacetamides2008201314.3low000510
idarubicinanthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
2008201613.8low000310
ceforanidecephalosporinantibacterial drug2008200816.0low000100
piperacillinpenicillin allergen;
penicillin
antibacterial drug2008201613.0low000210
paroxetinearomatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2008201613.4low000410
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008202311.6low000521
cefoperazonecephalosporinantibacterial drug2008201612.0low000110
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
2010201312.5low000110
foscarnet sodiumone-carbon compound;
organic sodium salt
antiviral drug2013201311.0low000010
oltipraz1,2-dithiole;
pyrazines
angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug
202320231.0low000001
atracuriumdiester;
quaternary ammonium ion
muscle relaxant;
nicotinic antagonist
2008201613.3low000210
atracurium besylateorganosulfonate salt;
quaternary ammonium salt
muscle relaxant;
nicotinic antagonist
2013201311.0medium000010
butoconazole nitratearyl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
2010201014.0medium000200
moxalactamcephalosporin;
oxacephem
antibacterial drug2008200915.5low000200
nicorandilnitrate ester;
pyridinecarboxamide
potassium channel opener;
vasodilator agent
2013201311.0low000010
endralazinebenzamides2008200816.0low000100
pergolidediamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
2008201612.0low000110
pergolide mesylatemethanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
2013201311.0low000010
cefadroxil anhydrouscephalosporinantibacterial drug2008201613.1low000520
encainidebenzamides;
piperidines
anti-arrhythmia drug;
sodium channel blocker
2008201015.0low000300
talniflumatebenzofurans2013201311.0low000010
fenoldopam mesylatebenzazepine2013201311.0medium000010
fiacitabine202320231.0low000001
fialuridine2010201612.0low000210
doxofyllineoxopurineanti-asthmatic drug;
antitussive;
bronchodilator agent
2008200816.0low000100
cefaclor anhydrouscephalosporinantibacterial drug;
drug allergen
201320169.5low000020
pefloxacinfluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone
antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
2008201314.0low000410
mitoxantrone hydrochloridehydrochlorideantineoplastic agent2010201014.0low000200
alfentanilmonocarboxylic acid amide;
piperidines
central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
2008201613.8low000510
miglustatpiperidines;
tertiary amino compound
anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
201620168.0low000010
haloperidol decanoateorganic molecular entity201620168.0low000010
cefotetan2008201613.3low000520
recainam2008201015.0medium000300
lovastatindelta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
2008201613.0low000420
flupirtineaminopyridine2008201314.0low000410
tolrestatnaphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor2010201611.0low000110
enoximonearomatic ketone2008201314.0low000210
steproninN-acyl-amino acid2013201311.0low000010
simvastatindelta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
2010201611.8low000220
idazoxanbenzodioxine;
imidazolines
alpha-adrenergic antagonist2008201313.8low000310
remoxipridedimethoxybenzene2008201314.0low000410
balsalazide201620168.0low000010
pravastatin3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)
anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
2008201613.2low000310
cabergolineN-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
201320169.5low000020
bambuterolcarbamate ester;
phenylethanolamines
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
2008201014.7low000300
atomoxetine hydrochloridehydrochlorideadrenergic uptake inhibitor;
antidepressant
2013201311.0low000010
atomoxetinearomatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
2008201613.5medium000510
quinaprildicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2008201612.6low000320
alpidemimidazoles2010201612.0low000210
mifepristone3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
201320169.5low000020
trospectomycindioxanes2008200816.0low000100
fosphenytoinimidazolidine-2,4-dione201620168.0low000010
salmeterol xinafoatenaphthoic acid2013201311.0low000010
ranolazinearomatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
201620234.5low000011
brequinarbiphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid
anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
202320231.0low000001
finasteride3-oxo steroid;
aza-steroid;
delta-lactam
androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
2008201613.0low000420
imiquimodimidazoquinolineantineoplastic agent;
interferon inducer
201320236.0low000011
sematilide2008201015.0low000300
esmololaromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
2008201613.3low000210
temafloxacinamino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
2010201014.0low000200
clinafloxacinquinolines2008201014.6low000500
sertindoleheteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
2013201311.0low000010
adapaleneadamantanes;
monocarboxylic acid;
naphthoic acid
dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
2013201311.0low000010
adefovir6-aminopurines;
ether;
phosphonic acids
antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
2008202310.8low000311
loxiglumideorganic molecular entity2008201015.0low000200
aromasil17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
201320169.5low000020
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
2008201314.0low000310
zileuton1-benzothiophenes;
ureas
anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
2010201611.8low000220
clopidogrelmethyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
201620168.0low000010
cidofovir anhydrousphosphonic acids;
pyrimidone
anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
2008202310.8low000321
tiagabinebeta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
2008201613.8low000410
mibefradiltetralinsT-type calcium channel blocker2008201014.5low000400
topotecanpyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
2008201613.0low000210
bromfenacaromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008201613.1low000520
celgosivir202320231.0low000001
gemcitabine hydrochloridehydrochloride;
organofluorine compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
2013201311.0low000010
gemcitabineorganofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
2008202310.0low000211
ibutilidebenzenes;
organic amino compound
2008201613.0low000210
dup 5321996201021.0low001100
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2008201611.7low000120
remifentanilalpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
2008201613.0low000210
atorvastatin calcium anhydrousorganic calcium salt2013201311.0low000010
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
201420169.0low000020
lamivudinemonothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol
allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
2008202312.1low000621
duloxetine hydrochlorideduloxetine hydrochlorideantidepressant2013201311.0low000010
duloxetineduloxetine201620168.0low000010
irinotecancarbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
2008201613.0low000210
valsartanbiphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1996202314.5low001831
ibandronic acid2008201612.0low000110
ziprasidone1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
2008201613.8low000410
zanamivirguanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
2008202311.5low000301
zolmitriptanoxazolidinone;
tryptamines
anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2008201612.8low000320
adefovir dipivoxil6-aminopurines;
carbonate ester;
ether;
organic phosphonate
antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
201320236.0low000011
emtricitabinemonothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone
antiviral drug;
HIV-1 reverse transcriptase inhibitor
201320236.7low000021
tasosartanbiphenyls1996201616.9high001510
saquinavir monomethanesulfonateorganic molecular entity2010201014.0medium000200
tiludronic acidorganochlorine compound201620168.0low000010
tirofibanL-tyrosine derivative;
piperidines;
sulfonamide
anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
2008201613.0low000210
capecitabinecarbamate ester;
cytidines;
organofluorine compound
antimetabolite;
antineoplastic agent;
prodrug
201620168.0low000010
adenosineadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
2008201613.0low000310
octyl gallategallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
202320231.0low000001
allyl formate2010201014.0low000200
paroxetine hydrochloridehydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2013201311.0low000010
desferrioxamine b mesylatemethanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator
2010201014.0low000200
bupropion hydrochloridearomatic ketone2010201313.0medium000210
cisatracuriumdiester;
quaternary ammonium ion
muscle relaxant;
nicotinic antagonist
2008200816.0low000100
diltiazem hydrochloridehydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
2010201014.0low000100
trazodone hydrochloridehydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2010201313.0low000210
fosinoprilatL-proline derivative;
phosphinic acids
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008200816.0low000100
trovafloxacin2008201613.5low000510
verapamil hydrochloride2010201014.0low000200
cefprozilcephalosporin;
semisynthetic derivative
antibacterial drug2008201612.0high000110
doxazosin mesylatemethanesulfonate saltgeroprotector2013201311.0low000010
ciprofloxacin hydrochloride anhydroushydrochlorideantibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
2010201014.0low000200
efavirenzacetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound
antiviral drug;
HIV-1 reverse transcriptase inhibitor
201320236.7low000021
nelfinaviraryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
201020238.5low000121
amantadine hydrochloridehydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
2010201014.0low000200
mevastatin2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
2013201311.0low000010
bupivacaine hydrochloridehydrochloride;
racemate
adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
2013201311.0low000010
fenofibric acidaromatic ketone;
chlorobenzophenone;
monocarboxylic acid
drug metabolite;
marine xenobiotic metabolite
201620168.0low000010
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
202320231.0low000001
arctigeninlignan202320231.0low000001
baicalindihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative
antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
202320231.0low000001
plerixaforazacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound
anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
201320236.7low000021
amprenavircarbamate ester;
sulfonamide;
tetrahydrofuryl ester
antiviral drug;
HIV protease inhibitor
201020238.5low000121
oseltamiviracetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
201620234.5low000011
epigallocatechin gallateflavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
202320231.0low000001
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucosegallate ester;
galloyl beta-D-glucose
anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
202320231.0low000001
cephalotaxinebenzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
202320231.0medium000001
dobutamine hydrochloridehydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
2010201014.0medium000200
desipramine hydrochloridehydrochloridedrug allergen202320231.0low000001
mefloquine hydrochloridehydrochloride202320231.0low000001
ticlopidine hydrochloridehydrochloride2013201311.0low000010
epirubicin hydrochloride2013201311.0medium000010
iopamidolbenzenedicarboxamide;
organoiodine compound;
pentol
environmental contaminant;
radioopaque medium;
xenobiotic
2008201014.7low000300
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
2010201014.0medium000200
histamine phosphatephosphate salthistamine agonist201620168.0low000010
imipramine n-oxidedibenzooxazepine2008200816.0low000100
tilbroquinolorganohalogen compound;
quinolines
201620168.0medium000010
bendamustinebenzimidazoles201620168.0low000010
aloxistatinepoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide
anticoronaviral agent;
cathepsin B inhibitor
202320231.0low000001
droxicamorganic heterotricyclic compound;
pyridines
cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
201620168.0low000010
propazolebenzimidazoles202320231.0low000001
ceftezolecephalosporin;
thiadiazoles
2008200816.0low000100
ebrotidinesulfonamide201620168.0low000010
dexloxiglumideglutamic acid derivative2008201015.0low000300
prulifloxacinfluoroquinolone antibiotic;
quinolone antibiotic
202320231.0low000001
intoplicinepyridoindole2008200816.0low000100
pazufloxacinquinolines2013201311.0low000010
repaglinidepiperidines2008201612.8low000320
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
2003202313.4low000931
bergenintrihydroxybenzoic acidmetabolite202320231.0low000001
hexestrol bis(diethylaminoethyl ether)stilbenoid2008200816.0low000100
dexfenfluraminefenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2008200816.0low000100
ethinyl estradiol-17-sulfate2008200816.0medium000100
trimethobenzamide monohydrochloride2010201014.0medium000200
amiloride hydrochloridehydratediuretic;
sodium channel blocker
2010201014.0medium000200
miconazole nitrate2013201311.0low000010
disobutamideacetamides2008200816.0low000100
ethinylestradiol-3-sulfate17beta-hydroxy steroid;
steroid sulfate
antineoplastic agent;
estrogen
2008200816.0low000100
econazole nitrate2010201014.0low000200
sertralinedichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
2008201613.0low000310
lomefloxacin hydrochloridehydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
2010201014.0medium000200
cefcanel2008201015.0medium000200
zoledronic acid1,1-bis(phosphonic acid);
imidazoles
bone density conservation agent2008202310.8low000321
epristeridesteroid acid2008201015.0low000300
talinololureas2008201015.0low000300
artemisininorganic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
201320236.0low000011
brinzolamidesulfonamide;
thienothiazine
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
201320236.0low000011
flunoxaprofen1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound
antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
2010201014.0low000200
tianeptinedibenzothiazepine;
monocarboxylic acid;
organochlorine compound
2010201014.0low000200
drospirenone3-oxo-Delta(4) steroid;
steroid lactone
aldosterone antagonist;
contraceptive drug;
progestin
2013201311.0low000010
artemetherartemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid
antimalarial2013201311.0low000010
dipropylacetamidefatty amidegeroprotector;
metabolite;
teratogenic agent
200820238.5low000101
denaverinediarylmethane2008200816.0low000100
acamprosateacetamides;
organosulfonic acid
environmental contaminant;
neurotransmitter agent;
xenobiotic
201620168.0low000010
isaxonineaminopyrimidine201620168.0low000010
oxprenolol hydrochloride202320231.0low000001
diprafenonearomatic compound2008200915.5low000200
nebivololchromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
2008201612.0high000110
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
2008201612.8low000320
ljc 10627carbapenems;
organic sulfide;
pyrazolotriazole
antibacterial drug2008200915.5low000200
hp 8731,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
201320169.5low000020
dexrazoxanerazoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
2008201613.0low000210
loxapine succinatesuccinate saltgeroprotector2013201311.0low000010
loperamide hydrochloridehydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
2010201014.0medium000200
fenoxypropazinearomatic ether201620168.0low000010
opipramol hydrochloride202320231.0low000001
voriconazoleconazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug
P450 inhibitor2008201611.7low000120
betamipronorganonitrogen compound;
organooxygen compound
2008201313.7low000210
moroxydinebiguanides202320231.0low000001
bufuralolbenzofurans2008201015.0low000300
uroxatralhydrochloride2013201311.0low000010
aceclofenacamino 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
201320169.5low000020
clociguanil2008200816.0medium000100
nitrefazoleimidazoles201620168.0low000010
panipenemorganic molecular entity2008200816.0low000100
perindoprilatdicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008200816.0low000100
thiocolchicosideglycoside2013201311.0low000010
thioxolonebenzoxathioleantiseborrheic202320231.0low000001
gr 1172891-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles
angiotensin receptor antagonist;
antihypertensive agent
1996201021.0medium001100
7-hydroxystaurosporine2008200816.0low000100
methotrimeprazinephenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
2008201015.0low000200
honokiolbiphenyls202320231.0low000001
nobiletinmethoxyflavoneantineoplastic agent;
plant metabolite
202320231.0low000001
lycorineindolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
202320231.0low000001
lividomycinlividomycinsmetabolite2008200816.0low000100
gentamicin c12008200816.0low000100
9-aminocamptothecinpyranoindolizinoquinoline2008200816.0low000100
leupeptinaldehyde;
tripeptide
bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
202320231.0low000001
sch 343432008200915.5low000200
grepafloxacinfluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
2010201014.0low000200
squalaminebile acid2008200816.0low000100
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide2008200816.0medium000100
tetrandrinebisbenzylisoquinoline alkaloid;
isoquinolines
202320231.0low000001
doripenemcarbapenems201320169.5low000020
calpeptinamino acid amide202320231.0low000001
fangchinolinearomatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle
anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
202320231.0low000001
maslinic aciddihydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
202320231.0low000001
2-naphthylisothiocyanate2010201014.0medium000200
atovaquonehydroxy-1,2-naphthoquinone2008202310.8low000311
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
2008201613.0low000210
frovatriptancarbazoles2008201613.2low000310
eletriptanindoles;
N-alkylpyrrolidine;
sulfone
non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2008201612.0low000110
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
2008201613.2low000620
tamifluphosphate salt2013201311.0low000010
bexarotenebenzoic acids;
naphthalenes;
retinoid
antineoplastic agent201320169.5low000020
s20098acetamides2013201311.0low000010
flunisolide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
2013201311.0low000010
chloroquine diphosphate2010201014.0medium000200
orphenadrine citratecitrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
2010201014.0medium000200
ketorolac tromethamineorganoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
2010201313.0low000210
clarithromycinmacrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
2008201613.3low000520
loganinbeta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol
anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite
202320231.0low000001
nicotine3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
2008201314.0low000410
n-(3,5-dichlorophenyl)succinimidepyrrolidines2010201014.0low000200
moexiprilpeptide200820238.3low000111
phentolamine mesylate2010201014.0medium000200
sennoside Boxo dicarboxylic acid;
sennosides
2008200816.0medium000100
aucubinorganic molecular entitymetabolite202320231.0low000001
oxybutynin hydrochloridehydrochloride2010201014.0medium000200
catalpolorganic molecular entitymetabolite202320231.0low000001
1-cyano-2-hydroxy-3-butenesecondary alcohol2010201014.0low000100
gliquidoneisoquinolines2013201311.0low000010
cordiumhydrate;
hydrochloride
2010201014.0high000200
lekoptin2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile202320231.0low000001
mci 9038peptide2008201612.0low000110
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
2010201312.5low000110
dimethacrineacridines2008200816.0medium000100
moxifloxacin hydrochloridehydrochlorideantibacterial drug2013201311.0low000010
n-methyladenosinemethyladenosine202320231.0low000001
fulvestrant17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide
antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
201320169.5low000020
mizoribineimidazolesanticoronaviral agent2013201311.0low000010
imipenem, anhydrousbeta-lactam antibiotic allergen;
carbapenems;
zwitterion
antibacterial drug2008201015.0low000200
sr141716amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles
anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
2013201311.0low000010
bosentan anhydrousprimary alcohol;
pyrimidines;
sulfonamide
antihypertensive agent;
endothelin receptor antagonist
2008201612.8low000420
sivelestatN-acylglycine;
pivalate ester
202320231.0low000001
racecadotrilN-acyl-amino acid2013201311.0low000010
pyronaridineaminoquinoline202320231.0low000001
perindoprilalpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008201612.0low000110
geniposideterpene glycoside202320231.0low000001
asulacrineacridines2008200816.0low000100
hydroxycotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
2008200816.0low000100
daidzin7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
plant metabolite202320231.0low000001
quinaprilatdicarboxylic acid;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
2008201015.0low000300
2-hydroxyimipraminedibenzoazepine2008200915.5low000200
ecteinascidin 743acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound
alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
2008200816.0low000100
exp3174biphenylyltetrazole;
imidazoles;
organochlorine compound
metabolite1996201119.0low001310
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
201320169.5low000020
5-hydroxydopaminecatecholamine2008200816.0low000100
paliperidone1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
201620168.0low000010
sophocarpine202320231.0low000001
nitisinone(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor201620168.0low000010
plavixazaheterocycle sulfate salt;
organoammonium sulfate salt
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2013201311.0medium000010
marimastathydroxamic acid;
secondary carboxamide
antineoplastic agent;
matrix metalloproteinase inhibitor
202320231.0low000001
clofarabineadenosines;
organofluorine compound
antimetabolite;
antineoplastic agent
201320169.5low000020
elacridar202320231.0low000001
pramipexolebenzothiazoles;
diamine
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
201320169.5low000020
valdecoxibisoxazoles;
sulfonamide
antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
201320169.5low000020
l 6924292003200321.0low000100
celastrolmonocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
202320231.0low000001
almotriptanindoles;
sulfonamide;
tertiary amine
non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2008201613.0low000210
mk 0663bipyridines;
organochlorine compound;
sulfone
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2008201313.7low000210
tazobactampenicillanic acids;
triazoles
antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
2008200816.0low000100
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
2008201612.6low000320
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamineleucine derivative202320231.0low000001
vadimezanmonocarboxylic acid;
xanthones
antineoplastic agent202320231.0low000001
e 64dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion
antimalarial;
antiparasitic agent;
protease inhibitor
202320231.0low000001
desloratadinebenzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
201320169.5low000020
desvenlafaxinecyclohexanols;
phenols;
tertiary amino compound
antidepressant;
drug metabolite;
marine xenobiotic metabolite
201620168.0low000010
methotrexatedicarboxylic 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
2008201613.2low000620
tamsulosin5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
2008201613.2low000310
rufinamidearomatic amide;
heteroarene
201620168.0low000010
sulbactampenicillanic acids2008201314.0low000210
exp77111996200523.5medium001100
olmesartan medoxomilbiphenyls201320169.5low000020
dexpanthenolamino alcohol;
monocarboxylic acid amide
cholinergic drug;
provitamin
201620168.0low000010
umifenovirindolyl carboxylic acid202320231.0low000001
fosamprenavirsulfonamideprodrug201620168.0low000010
bibs 391996199628.0medium001000
sc 513162010201014.0medium000100
safinamideamino acid amide202320231.0low000001
3-((2'-carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3h-imidazo(4,5-b)pyridine1996201021.0medium001100
a 819881996201021.0medium001100
bibs 2221996199628.0medium001000
ilomastathydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
202320231.0low000001
ici d87311996201021.0medium001100
forasartanbenzenes;
pyridines;
tetrazoles;
triazoles
angiotensin receptor antagonist;
antihypertensive agent
1996201021.0medium001100
up 269-61996201021.0medium001100
abiraterone3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines
antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
2013201311.0low000010
mk 9961996201021.0high001100
febuxostat1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile
EC 1.17.3.2 (xanthine oxidase) inhibitor201320169.5low000020
dilevalol2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide2008201015.0high000200
xyloseD-xylose2008200816.0low000100
escitalopram1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
201620168.0low000010
lexapro2013201311.0low000010
10-propargyl-10-deazaaminopterinN-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
201620168.0low000010
docetaxelhydrate;
secondary alpha-hydroxy ketone
antineoplastic agent2008200915.5low000200
docetaxel anhydroussecondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
201320169.5low000020
irofulvencyclohexenones2008200816.0low000100
atazanavircarbohydrazideantiviral drug;
HIV protease inhibitor
201620234.5low000011
ym 8722008200816.0low000100
nsc-1415492010201014.0medium000200
levofloxacin9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
2008201613.5low000620
ezetimibeazetidines;
beta-lactam;
organofluorine compound
anticholesteremic drug;
antilipemic drug;
antimetabolite
201320169.5low000020
ertapenemcarbapenemcarboxylic acid;
pyrrolidinecarboxamide
antibacterial drug2008201612.0low000110
dx 8951pyranoindolizinoquinoline2008200816.0low000100
cox 189amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2010201611.0low000120
cilomilastmethoxybenzenes2008201015.0low000300
conivaptanbenzazepineaquaretic;
vasopressin receptor antagonist
2008201612.7low000210
tezosentan2008200816.0low000100
sabarubicin2008200816.0low000100
moxifloxacinaromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug2008201613.2low000310
vx 497202320231.0low000001
pralnacasan201620168.0low000010
clevidipinedihydropyridine2008201612.0low000110
solifenacinisoquinolines2008201613.2high000310
dexmethylphenidatemethyl phenyl(piperidin-2-yl)acetateadrenergic agent201620168.0medium000010
bcx 18123-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
202320231.0low000001
xamoterolmorpholines2008201314.0low000310
naproxenmethoxynaphthalene;
monocarboxylic acid
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2010202310.3low000321
cinacalcet(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound
calcimimetic;
P450 inhibitor
201620168.0low000010
lubiprostone201620168.0low000010
olmesartanbiphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
2010202310.5low000211
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
201320236.7low000021
celastrol methyl estercarboxylic ester202320231.0low000001
resiquimodimidazoquinoline202320231.0low000001
clofibridemonocarboxylic acid2008200816.0medium000100
abanoquil2008200816.0low000100
tanshinone ii aabietane diterpenoid202320231.0low000001
paromomycinamino cyclitol glycoside;
aminoglycoside antibiotic
anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
201620168.0low000010
anidulafunginantibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
2008201612.0low000110
anacardic acidhydroxy monocarboxylic acid;
hydroxybenzoic acid
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
202320231.0low000001
aminopterindicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
2008200816.0low000100
17 alpha-hydroxyprogesterone caproatecorticosteroid hormone201620168.0low000010
varenicline201620168.0low000010
biotinbiotins;
vitamin B7
coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
2010201014.0low000200
fiduxosin201620168.0low000010
atropine2008201613.4low000520
ropivacainepiperidinecarboxamide;
ropivacaine
local anaesthetic2008200816.0low000100
migalastatpiperidines202320231.0low000001
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
201620234.5low000011
l 694,4582008200816.0low000100
me 32211996201021.0high001100
limoninepoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound
inhibitor;
metabolite;
volatile oil component
202320231.0low000001
l 1588091996201020.3low001200
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
2008201015.0low000300
scutellaringlucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antineoplastic agent;
proteasome inhibitor
202320231.0low000001
aflatoxin b1aflatoxin;
aromatic ether;
aromatic ketone
carcinogenic agent;
human metabolite
2010201014.0low000200
carbocysteineL-cysteine thioether;
non-proteinogenic L-alpha-amino acid
mucolytic2008200816.0low000100
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
201620234.5low000011
chelidoninealkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
202320231.0low000001
troleandomycinacetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative
EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
2010201014.0low000200
4-n-butylresorcinolresorcinols202320231.0low000001
dronedarone1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
environmental contaminant;
xenobiotic
201620168.0low000010
tesaglitazar2008201015.0low000300
ramelteonindanes201320169.5low000020
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2010201612.0low000210
darunavircarbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
201620234.5low000011
dapivirine202320231.0low000001
deferasiroxbenzoic acids;
monocarboxylic acid;
phenols;
triazoles
iron chelator201320169.5low000020
bms2043522008201313.7low000210
fosfluconazoleconazole antifungal drug;
triazole antifungal drug;
triazoles
prodrug2008200816.0low000100
tbc-11251benzodioxoles201320169.5low000020
tolvaptanbenzazepine;
benzenedicarboxamide
aquaretic;
vasopressin receptor antagonist
201320169.5low000020
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
2010201611.0low000110
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
201320169.5low000020
regadenosonpurine nucleoside201620168.0low000010
lacosamideN-acyl-amino acid201320169.5low000020
cp 101,6062008200915.5low000200
dromostanolone propionate3-oxo-5alpha-steroid;
steroid ester
antineoplastic agent2008200816.0medium000100
fludrocortisone acetate11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone
2010201014.0low000200
vincaleukoblastineacetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid
antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
2010201611.0low000120
vincristine sulfateorganic sulfate saltantineoplastic agent;
geroprotector
2010201313.0medium000210
nsc 74859amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester
STAT3 inhibitor202320231.0low000001
benzarone1-benzofurans201620168.0low000010
nsc-89199carbamate ester;
organochlorine compound;
steroid phosphate
2008201015.0high000200
estramustine17beta-hydroxy steroid;
carbamate ester;
organochlorine compound
alkylating agent;
antineoplastic agent;
radiation protective agent
201620168.0low000010
phenethicillinpenicillin allergen;
penicillin
2008200816.0low000200
berbaminebisbenzylisoquinoline alkaloid;
isoquinolines
202320231.0low000001
acivicinisoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
2008201014.7low000300
u-104202320231.0low000001
wortmanninacetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound
anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
2010201312.5low000110
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-oneglycoside202320231.0medium000001
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
200820239.0low000121
ritonavir1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
2010202310.9low000421
tizoxanidesalicylamides202320231.0low000001
glucosamineD-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
2010201014.0low000200
oxytocinheterodetic cyclic peptide;
peptide hormone
oxytocic;
vasodilator agent
201620168.0low000010
bekanamycinkanamycins2008200816.0low000100
puromycinpuromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
2010201014.0low000200
pentostatincoformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
201320169.5low000020
taurolithocholic acidbile acid taurine conjugate;
monocarboxylic acid amide
human metabolite2010201014.0low000100
(+)-limonenelimoneneplant metabolite2010201014.0medium000200
arbutinbeta-D-glucoside;
monosaccharide derivative
Escherichia coli metabolite;
plant metabolite
202320231.0low000001
strychninemonoterpenoid indole alkaloid;
organic heteroheptacyclic compound
avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
2008200816.0low000100
quinidinecinchona 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
2008202312.3low000721
conessinesteroid alkaloid;
tertiary amino compound
antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
202320231.0low000001
meropenemalpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide
antibacterial agent;
antibacterial drug;
drug allergen
2008201612.5low000220
griseofulvin1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound
antibacterial agent;
Penicillium metabolite
2008201613.0low000310
cefoxitinbeta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative
antibacterial drug2008201613.0low000310
digitoxincardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2008201313.5low000110
moxalactam disodium2010201014.0medium000200
saquinavirL-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
2008202310.7low000321
pancuroniumacetate ester;
steroid ester
cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
2008201612.0low000110
rocuronium3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound
drug allergen;
muscle relaxant;
neuromuscular agent
2008200816.0low000100
abacavir2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
2008202311.3low000411
netilmicin2008200915.7low000300
perindopril erbumineaddition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2013201311.0medium000010
miglitolpiperidines2008201612.8low000320
mometasone furoate11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester
anti-allergic agent;
anti-inflammatory drug
2010201014.0low000200
metyrosineL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
201620168.0low000010
rocuronium bromideorganic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent
2013201311.0medium000010
nortriptyline hydrochlorideorganic tricyclic compoundgeroprotector2010201014.0medium000200
erythromycin estolateaminoglycoside sulfate salt;
erythromycin derivative
enzyme inhibitor2010201014.0low000300
kanamycin sulfateaminoglycoside sulfate saltantibacterial drug;
geroprotector
2010201014.0low000200
paromomycin sulfate2010201014.0medium000200
linezolidacetamides;
morpholines;
organofluorine compound;
oxazolidinone
antibacterial drug;
protein synthesis inhibitor
2008202310.8low000321
cephaelinpyridoisoquinoline202320231.0low000001
(-)-usnic acidusnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor202320231.0medium000001
acetylleucyl-leucyl-norleucinalaldehyde;
tripeptide
cysteine protease inhibitor202320231.0low000001
chloramphenicol palmitatehexadecanoate ester2010201014.0low000200
clindamycin phosphate201620168.0low000010
hetacillinpenicillinantibacterial drug2008200816.0low000100
calcium pantothenatepolymer2010201014.0high000200
pemirolast potassium salt2013201311.0medium000010
eplerenone3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester
aldosterone antagonist;
antihypertensive agent
201320169.5low000020
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
2008201613.2low000310
doxorubicin hydrochlorideanthracycline2010201014.0low000200
medigoxincardenolide glycoside2008200816.0low000100
betamethasone acetate11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone
2008200816.0low000100
ao 128organic molecular entity2013201311.0low000010
loteprednol etabonate11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester
anti-inflammatory drug2013201311.0low000010
darifenacin1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
2008201612.0low000110
fluticasone propionate11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester
adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
2008201313.5low000110
acarboseamino cyclitol;
glycoside
2008201015.0low000200
maleic acidbutenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
2010201014.0low000200
tretinoinretinoic acid;
vitamin A
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
2010201611.8low000220
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
202320231.0low000001
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
2008201612.0low000110
cyanoginosin lrmicrocystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
2010201014.0low000200
tacrolimusmacrolide lactambacterial metabolite;
immunosuppressive agent
2008202310.8low000321
cerivastatindihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
2008201014.6low000500
rosuvastatindihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide
anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
2008201613.2medium000310
cocainebenzoate 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
2008200915.5low000200
mycophenolic acid2-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
201620168.0low000010
mupirocinalpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol
antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
2013201311.0low000010
clindamycin2008201613.8low000410
lycopeneacyclic caroteneantioxidant;
plant metabolite
202320231.0low000001
fosfomycinepoxide;
phosphonic acids
antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
2008201613.2low000310
zithromaxmacrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
2008202312.1low000621
drf 27252010201014.0low000200
bms 214662benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
2008200816.0low000100
octreotide201620168.0medium000010
eptifibatidehomodetic cyclic peptide;
macrocycle;
organic disulfide
anticoagulant;
platelet aggregation inhibitor
2008201612.0low000110
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
202320231.0low000001
L-cycloserine4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
202320231.0low000001
h 89N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide202320231.0low000001
gs 4071acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite
2008201015.0low000300
decitabine2'-deoxyribonucleoside2008201612.5low000220
sm 86682008201015.0low000200
teniposidearomatic 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
2008201612.5medium000220
troxacitabinecarbohydrate derivative;
nucleobase-containing molecular entity
2008200816.0low000100
valrubicinanthracycline;
trifluoroacetamide
2013201311.0low000010
cefamandolecephalosporin;
semisynthetic derivative
antibacterial drug2008200915.5low000200
dactinomycinactinomycinmutagen2010201612.0low000210
bevirimatdicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid
HIV-1 maturation inhibitor;
metabolite
202320231.0low000001
tiazofurin1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
2008200816.0low000100
azaserinecarboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid
antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
2010201014.0low000200
melphalanL-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2008201613.2low000320
sitafloxacinfluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
2008201015.0medium000300
benzyloxycarbonylleucyl-leucyl-leucine aldehydeamino aldehyde;
carbamate ester;
tripeptide
proteasome inhibitor202320231.0low000001
tenofovirnucleoside analogue;
phosphonic acids
antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
2008202310.0low000211
posaconazolearomatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles
trypanocidal drug201320236.7low000021
dibekacinkanamycinsantibacterial agent;
protein synthesis inhibitor
2008200816.0low000200
gw 257406x202320231.0low000001
rubitecanC-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
2013201311.0low000010
micafunginantibiotic antifungal drug;
echinocandin
antiinfective agent2008201612.0low000110
shikoninhydroxy-1,4-naphthoquinone202320231.0low000001
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamidetropane alkaloid202320231.0medium000001
cmx 001202320231.0low000001
amd 8664202320231.0medium000001
bay 41-4109202320231.0low000001
bay 57-1293202320231.0low000001
riboflavinflavin;
vitamin B2
anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
2008201612.0low000110
2'-c-methylcytidine202320231.0low000001
isoxanthohumolflavanones202320231.0low000001
sodium bicarbonateone-carbon compound;
organic sodium salt
antacid;
food anticaking agent
2010201611.0low000110
arsenic trioxidearsenic oxideantineoplastic agent;
insecticide
2010201612.0high000210
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamidearomatic ether202320231.0low000001
mecarbinate202320231.0low000001
idarubicin hydrochlorideanthracycline2010201014.0medium000200
sr 90107201620168.0medium000010
carbenoxolone sodiumtriterpenoid2010201014.0low000200
meglumine iodipamideorganoammonium saltradioopaque medium201620168.0low000010
thyrotropin-releasing hormonepeptide hormone;
tripeptide
human metabolite201620168.0low000010
flavin mononucleotideflavin mononucleotide;
vitamin B2
bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite
2008200816.0medium000100
arginine vasopressinvasopressincardiovascular drug;
hematologic agent;
mitogen
201320169.5low000020
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
201620168.0low000010
acetyl-aspartyl-glutamyl-valyl-aspartaltetrapeptideprotease inhibitor202320231.0low000001
mezlocillinpenicillin allergen;
penicillin
antibacterial drug2008200915.7low000300
trilostane17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile
abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
2013201311.0low000010
mitobronitolalcohol;
organobromine compound
2008200816.0low000100
tropisetronindolyl carboxylic acid2008200816.0low000100
prednisolone hemisuccinate11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone
anti-inflammatory drug2008200816.0low000100
leuprolide acetateacetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
2013201311.0medium000010
leuprolideoligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
2008200816.0low000100
octotropine methylbromide200820238.5low000101
fludarabinepurine nucleoside2008200816.0low000100
propylthiouracilpyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
2008201612.8low000320
nsc 43472008200816.0low000100
etomidateethyl ester;
imidazoles
intravenous anaesthetic;
sedative
2008201613.3low000210
mercaptopurinearyl thiol;
purines;
thiocarbonyl compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent
2008202311.9low000521
jrf 12202320231.0low000001
levosulpiridesulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
2013201311.0low000010
3,4'-dihydroxyflavone202320231.0medium000001
pyrantel1,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes
antinematodal drug201620168.0low000010
3-(3,4-dimethoxyphenyl)propenoic acidmethoxycinnamic acid202320231.0low000001
isoferulic acidferulic acidsantioxidant;
biomarker;
metabolite
202320231.0low000001
lobeline2008200816.0medium000100
cyclouridine202320231.0medium000001
cotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
2008201015.0low000200
thiothixeneN-methylpiperazineanticoronaviral agent2008201613.0medium000310
eszopiclonezopiclonecentral nervous system depressant;
sedative
201320169.5low000020
curcuminaromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol
anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
202320231.0low000001
benztropinediarylmethane2008201612.0low000110
thiouracilnucleobase analogue;
thiocarbonyl compound
antithyroid drug;
metabolite
2008200816.0low000100
methimazole1,3-dihydroimidazole-2-thionesantithyroid drug2008201612.6low000320
cinnarizinediarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2010201312.5low000110
sulindacmonocarboxylic 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
2010201612.2low000320
zucapsaicinmethoxybenzenes;
phenols
202320231.0low000001
capsaicincapsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
2010201014.0low000200
terbinafineacetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
2008201612.3low000120
epalrestatmonocarboxylic acid;
thiazolidines
EC 1.1.1.21 (aldehyde reductase) inhibitor2013201311.0low000010
1,4-benzoquinone guanylhydrazone thiosemicarbazone2008200816.0low000100
nbd 556202320231.0low000001
drotaverinisoquinolines2008201314.0low000410
thioguanine anhydrous2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
201020239.2low000211
(1R,2S)-tranylcypromine hydrochloridehydrochloride2010201014.0low000200
thioacetamidethiocarboxamidehepatotoxic agent2010201014.0low000200
succimerdicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid
chelator201620168.0low000010
digoxincardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
2008201613.9low000610
4,5,6,7-tetrachloroindan-1,3-dione202320231.0medium000001
streptozocin2010201612.0medium000210
tamoxifenstilbenoid;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
2008201612.8low000420
ethionamidepyridines;
thiocarboxamide
antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
201620168.0low000010
srpin340202320231.0low000001
pr-619202320231.0medium000001
p5091202320231.0low000001
cancidas2008201612.0low000110
zeranolmacrolide2008200816.0low000100
fusidic acid11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester
EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
2010201312.5low000110
lincomycincarbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound
antimicrobial agent;
bacterial metabolite
2008201612.0low000110
valinomycincyclodepsipeptide;
macrocycle
antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
2010201312.5low000110
thiopentalbarbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
2008200915.7low000300
trovirdine202320231.0low000001
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
2010201611.0low000110
aplaviroc201620168.0low000010
hmr 36472008201613.1low000520
latoconazoleconazole antifungal drug;
imidazole antifungal drug
2013201311.0low000010
maraviroctropane alkaloid201320169.5low000020
fti 277202320231.0medium000001
toremifene citratestilbenoidanticoronaviral agent2013201311.0medium000010
toremifenearomatic ether;
organochlorine compound;
tertiary amine
antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2008201612.0low000110
u 0126aryl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
202320231.0low000001
vicriviroc(trifluoromethyl)benzenes202320231.0low000001
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
202320231.0low000001
nelarabinebeta-D-arabinoside;
monosaccharide derivative;
purine nucleoside
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
2008201611.7low000120
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholinearomatic ether2008201015.0medium000300
cv 111942010201014.0medium000100
albutoinorganonitrogen compound;
organooxygen compound
2008200816.0medium000100
iodothiouracilorganohalogen compound;
pyrimidines
2008200816.0low000100
dermatan sulfateamino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
201620168.0low000010
dolasetronindolyl carboxylic acid2008201612.0low000110
or 1259hydrazone;
nitrile;
pyridazinone
anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
2008200816.0low000100
gestodenesteroidestrogen2008201313.5low000110
orlistatbeta-lactone;
carboxylic ester;
formamides;
L-leucine derivative
anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
201320236.7low000021
quininecinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
2008201613.2low000620
isepamicin2008200816.0low000100
ifetrobanbenzenes;
monocarboxylic acid
2008200816.0low000100
lamifibanN-acylglycine2008200816.0low000100
fospropofolalkylbenzene201620168.0low000010
milfasartan1996201019.3high001200
azilect2013201311.0low000010
rasagilineindanes;
secondary amine;
terminal acetylenic compound
EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
201620168.0low000010
dasatinib1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
201320236.7low000021
dmp 8111996201021.0high001100
telavancinglycopeptideantibacterial drug;
antimicrobial agent
2008200816.0low000100
yya-021202320231.0medium000001
sb 415286C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline
antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
202320231.0low000001
sitagliptintriazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
2008202311.3low000421
tolcapone2-nitrophenols;
benzophenones;
catechols
antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
2008201613.5low000620
tak-220202320231.0medium000001
jtk-303aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone
HIV-1 integrase inhibitor201420235.5low000011
nbd 557202320231.0medium000001
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
2008201313.7low000210
bilirubinbiladienes;
dicarboxylic acid
antioxidant;
human metabolite;
mouse metabolite
2008200816.0low000100
dinoprostmonocarboxylic acid;
prostaglandins Falpha
human metabolite;
mouse metabolite
2008200816.0low000100
calcitriolD3 vitamins;
hydroxycalciol;
triol
antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
2008201611.7low000120
beta carotenecarotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
2008200816.0low000100
retinol palmitateall-trans-retinyl ester;
retinyl palmitate
antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
2010201014.0low000200
5'-o-caffeoylquinic acidcinnamate ester;
cyclitol carboxylic acid
plant metabolite202320231.0medium000001
luteolin-7-glucosidebeta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antioxidant;
plant metabolite
202320231.0low000001
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
2013201311.0low000010
cyclosporine202320231.0low000001
vitamin d 2hydroxy seco-steroid;
seco-ergostane;
vitamin D
bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
2010201611.8low000220
harmineharmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
202320231.0low000001
amphotericin bantibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic
antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
2010201612.5low000310
clavulanic acidoxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
2008201015.2low000400
pulmicort11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone
anti-inflammatory drug;
bronchodilator agent;
drug allergen
2008201612.8low000320
oxymetholone201320169.5low000020
montelukastaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
2008201613.5low000510
mivacuriumisoquinolines2008201612.0low000110
timolol maleatemaleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
2010201014.0medium000200
brompheniramine maleatemaleate saltanti-allergic agent2010201313.0medium000210
chlorpheniramine maleateorganic molecular entity2010201014.0low000200
clemastine fumaratefumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
2010201014.0medium000200
dexchlorpheniramine maleateorganic molecular entity2013201311.0medium000010
methylergonovine maleateergoline alkaloidgeroprotector2010201014.0medium000200
hemabate201620168.0low000010
ethchlorvynol2008200816.0low000100
mycophenolate mofetilcarboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound
anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
201320236.7medium000021
entacapone2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
2008202311.6low000521
paricalcitolhydroxy seco-steroid;
seco-cholestane
antiparathyroid drug2008201613.2low000310
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
202320231.0low000001
baicaleintrihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
202320231.0low000001
genkwanindihydroxyflavone;
monomethoxyflavone
metabolite202320231.0low000001
hyperosidebeta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
202320231.0low000001
mangostinaromatic ether;
phenols;
xanthones
antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
202320231.0low000001
3-methylquercetin7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
202320231.0low000001
kaempferide7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone
antihypertensive agent;
metabolite
202320231.0low000001
orientin3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone
antioxidant;
metabolite
202320231.0low000001
scutellareintetrahydroxyflavonemetabolite202320231.0low000001
trans-2,3',4,5'-tetrahydroxystilbenestilbenoid202320231.0low000001
polydatinbeta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid
anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
202320231.0low000001
chicoric acidorganooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
202320231.0low000001
acteosidecatechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
202320231.0low000001
flupenthixolflupenthixoldopaminergic antagonist2010201014.0low000100
sdz psc 833homodetic cyclic peptide2008200816.0low000100
estradiol-17 beta-glucuronide3-hydroxy steroid;
steroid glucosiduronic acid
2010201014.0low000200
l 660,711quinolines2010201312.5low000110
rokitamycinorganic molecular entity2008200816.0low000100
travoprost(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
2013201311.0low000010
tranilastamidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide
anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
2013201311.0low000010
7432 scephalosporin;
dicarboxylic acid
antibacterial drug201620168.0low000010
imipenemcarbapenems2013201311.0medium000010
etretinateenoate ester;
ethyl ester;
retinoid
keratolytic drug2008201313.5low000110
isotretinoinretinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
2010201611.8low000220
misoprostol2008200816.0low000100
ketotifen fumarateorganoammonium saltanti-asthmatic drug;
H1-receptor antagonist
2013201311.0low000010
epoprostenolprostaglandins Imouse metabolite2008201612.0medium000110
indocyanine green1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
2008201612.0high000110
dinoprost tromethamineorganic molecular entity2013201311.0low000010
triprolidineN-alkylpyrrolidine;
olefinic compound;
pyridines
H1-receptor antagonist2008201612.0low000110
pitavastatincyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)
antioxidant201620168.0low000010
rosuvastatin calciumN-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt
anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
2013201311.0medium000010
terbinafine hydrochlorideallylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
2013201311.0medium000010
cis-flupenthixol dihydrochloridehydrochloridegeroprotector2010201014.0medium000100
ethamolinlong-chain fatty acid201620168.0low000010
alatrofloxacin mesylate201620168.0medium000010
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
2008201613.0low000210
cyclosporinehomodetic 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
2008201613.2low000620
phenoxybenzamine hydrochlorideorganic molecular entity2010201014.0medium000200
natamycinantibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic
antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
2008201313.5medium000110
acitretinacitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug2010201611.8low000220
cloprednol21-hydroxy steroid2008200816.0low000100
cyproterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone
androgen antagonist2008200816.0low000100
dorzolamidesulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
202320231.0low000001
estropipatepiperazinium salt;
steroid sulfate
2008201612.0low000110
hydromorphonemorphinane alkaloid;
organic heteropentacyclic compound
mu-opioid receptor agonist;
opioid analgesic
2008201612.0low000110
hydroxystilbamidine2008200816.0low000100
levetiracetampyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
2008201611.7low000120
ly 163892carbacephem;
zwitterion
antibacterial drug;
antimicrobial agent
2010201612.0low000210
meprednisone21-hydroxy steroid2008200816.0low000100
nabilone201620168.0low000010
nalmefenemorphinane alkaloid2008201314.0low000410
naloxonemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
2008201612.8low000320
oxycodoneorganic heteropentacyclic compound;
semisynthetic derivative
antitussive;
mu-opioid receptor agonist;
opioid analgesic
2008201613.0low000210
oxymorphonemorphinane alkaloid2008201612.0low000110
vitamin k 1phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
201620168.0low000010
aceprevalcorticosteroid hormone2008200816.0medium000100
proscillaridinorganic molecular entity2008200816.0low000100
sirolimusantibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol
antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
201620168.0low000010
topiramatecyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
201020238.5low000121
trospium chloride201620168.0low000010
alvocidibdihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2008200816.0low000100
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
2008201613.2low000310
demycarosylturimycin h2013201311.0low000010
acipimoxpyrazinecarboxylic acid2013201311.0low000010
atosibanoligopeptide2013201311.0low000010
benzphetamineamphetamines;
tertiary amine
adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
201620168.0low000010
bimatoprostmonocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
2013201311.0low000010
cicaprostmonoterpenoid2008200816.0low000100
deamino arginine vasopressinheterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
201620168.0low000010
dexmedetomidinemedetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
2008201612.0low000110
goserelinorganic molecular entity201620168.0low000010
benzyloxycarbonyl-phe-ala-fluormethylketone202320231.0medium000001
iloprostcarbobicyclic compound;
monocarboxylic acid;
secondary alcohol
platelet aggregation inhibitor;
vasodilator agent
2008200816.0low000100
latanoprostisopropyl ester;
prostaglandins Falpha;
triol
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
2013201311.0low000010
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl estercarboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester
EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
nalbuphineorganic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
2008201613.0low000210
nateglinidephenylalanine derivative2008201612.8low000320
exp 6551996199628.0low001000
vinorelbineacetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid
antineoplastic agent;
photosensitizing agent
2008201613.0low000210
silodosinindolecarboxamide201620168.0low000010
casticindihydroxyflavone;
tetramethoxyflavone
apoptosis inducer;
plant metabolite
202320231.0low000001
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-onedihydroxyflavone;
monomethoxyflavone
antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
202320231.0low000001
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucosidebeta-D-glucoside;
resorcinols;
stilbenoid
anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor
202320231.0low000001
furazolidone2010201014.0low000200
fluvoxamine(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
2008201613.0low000310
tyrphostin ag 555202320231.0low000001
su 11248monocarboxylic acid amide;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
201620168.0low000010
stilbamidine2008200816.0low000100
romidepsincyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
2008200816.0low000100
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic aciddihydroxy monocarboxylic acid;
indoles;
organofluorine compound
2008201612.9high000430
molsidomineethyl ester;
morpholines;
oxadiazole;
zwitterion
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
2013201311.0low000010
pd 151746202320231.0medium000001
octylmethoxycinnamatecinnamate ester2010201014.0medium000200
levorphanolmorphinane alkaloid201620168.0low000010
naltrexonecyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
2008201613.0low000310
morphine-6-glucuronidemorphinane alkaloid2008200816.0low000100
dextromethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
201620168.0low000010
butorphanolmorphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
2008201613.3low000420
cefodizime1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor
2008200816.0low000100
methylnaltrexonephenanthrenes2008200816.0low000100
cefiximecephalosporinantibacterial drug;
drug allergen
2008201613.4medium000520
lisinoprildipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2008202311.6low000521
benazeprilbenzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2010201612.0low000210
ramiprilazabicycloalkane;
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
201320169.5low000020
verteporfin201620234.5medium000011
batimastathydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide
angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
202320231.0low000001
indinavir sulfatedicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide
HIV protease inhibitor2008202310.8low000321
zimeldinestyrenes2008201612.0low000110
enalapril maleatemaleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2013201311.0low000010
enalaprildicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
201620168.0low000010
vinblastine sulfate2010201014.0low000200
trientine hydrochloride2010201612.0high000210
n-methylscopolamine bromide201620168.0low000010
bleomycinbleomycinantineoplastic agent;
metabolite
201620168.0low000010
dextromethorphan hydrobromidehydrate;
hydrobromide
2010201014.0medium000200
indinavir sulfateazaheterocycle sulfate salt2010201014.0low000100
enalaprilat anhydrousdicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008201612.8low000320
solanesolnonaprenol;
primary alcohol
plant metabolite202320231.0low000001
pepstatinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
202320231.0low000001
ximelagatranamidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
2010201611.0low000110
cefuroxime3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether
drug allergen2008201613.2low000310
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
2008201613.8low000410
cefepimecephalosporin;
oxime O-ether
antibacterial drug2008201613.2low000310
hr 810cephalosporin;
cyclopentapyridine
2008200816.0low000100
l 685458carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol
EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic
202320231.0low000001
pafuramidine201620168.0low000010
ceftazidimecephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
2008201613.8low000510
trandolaprildicarboxylic 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
2008201611.7low000120
pregabalingamma-amino acidanticonvulsant;
calcium channel blocker
201320169.5low000020
cefetametcephalosporin2008201015.0low000300
alvimopan anhydrouspeptide201320169.5low000020
aliskirenmonocarboxylic acid amide;
monomethoxybenzene
antihypertensive agent201620168.0low000010
bms 806202320231.0low000001
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone202320231.0medium000001
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2008201613.1medium000520
fenoterolhydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
2010201014.0low000200
tulobuterol hydrochlorideorganic molecular entity202320231.0low000001
salubrinalaminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas
202320231.0low000001
cefotaxime1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen
2008201613.0low000210
aztreonambeta-lactam antibiotic allergen;
monobactam
antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
2008201613.5low000510
cci 15641cephalosporin2013201311.0medium000010
ginkgolide b2008201015.0low000200
cefpodoximecarboxylic acid;
cephalosporin
antibacterial drug201620168.0low000010
palonosetronazabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
2008201612.0low000110
tenofovir disoproxil fumaratefumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
2013201311.0low000010
cefatrizineamino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles
antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
2008201015.0low000300
enclomiphene citrate2010201014.0medium000100
diphenoxylate hydrochloridehydrochlorideantidiarrhoeal drug2010201014.0medium000200
eniporide2008200816.0low000100
dexbrompheniramine maleatebrompheniramine maleateanti-allergic agent;
H1-receptor antagonist
2013201311.0low000010
cilastatincarboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide
EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
2008200915.5low000200
rifaximinacetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative
antimicrobial agent;
gastrointestinal drug;
orphan drug
201320169.5low000020
germacronegermacrane sesquiterpenoid;
olefinic compound
androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component
202320231.0low000001
ergonovine maleatemaleate saltdiagnostic agent;
oxytocic
2010201014.0high000200
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid202320231.0low000001
lithospermic acid202320231.0medium000001
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
201320169.5low000020
laq824202320231.0low000001
ixabepilone1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle
antineoplastic agent;
microtubule-destabilising agent
2008201612.0low000110
ekb 569aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor202320231.0low000001
rilpivirineaminopyrimidine;
nitrile
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
202320231.0low000001
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-onegermacranolide202320231.0medium000001
4,5-di-O-caffeoylquinic acidquinic acid202320231.0low000001
indigo carmine202320231.0low000001
azlocillinpenicillin allergen;
penicillin;
semisynthetic derivative
antibacterial drug2008200915.5low000200
verlukast2008200816.0low000100
cefpodoxime proxetilcarboxylic acid;
carboxylic ester;
cephalosporin
antibacterial drug;
prodrug
2013201311.0low000010
ceftizoximecephalosporinantibacterial drug2008201613.0medium000210
1-methyl-d-lysergic acid butanolamideergot alkaloid;
monocarboxylic acid amide
serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
201620168.0low000010
carumonammonobactamantibacterial drug2008200816.0low000100
fluphenazine2013201311.0medium000010
l 1623131996199628.0low001000
dantrolene sodium2010201014.0low000200
nitrofurantoinimidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic
antibacterial drug;
antiinfective agent;
hepatotoxic agent
2008201613.4low000520
eritoranlipid As2008200816.0low000100
dantrolene2008201612.0low000110
roxithromycinroxithromycinenvironmental contaminant;
xenobiotic
2013201311.0low000010
cefdinircephalosporin;
ketoxime
antibacterial drug201320169.5low000020
etonogestrel17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin
201620168.0low000010
bisoprolol, fumarate (1:1) salt2013201311.0medium000010
artesunateartemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid
antimalarial;
antineoplastic agent;
ferroptosis inducer
200820239.3low000111
etoposide phosphatefuronaphthodioxole2013201311.0low000010
dexniguldipinediarylmethane2008200816.0low000100
ciclesonideorganic molecular entity2013201311.0low000010
napsagatran2008200816.0low000100
temsirolimusmacrolide lactam2008201611.7medium000120
dutasteride(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
201320169.5low000020
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetroneoligopeptide202320231.0low000001
tekturnafumarate saltantihypertensive agent2013201311.0medium000010
lu 208075diarylmethane201620168.0low000010
bms1887972008200816.0medium000100
bibx 1382bssubstituted aniline201620168.0low000010
vildagliptinamino acid amide201320236.0low000011
fesoterodinediarylmethane201620168.0low000010
belinostathydroxamic acid;
olefinic compound;
sulfonamide
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
202320231.0low000001
hdac-42amidobenzoic acid202320231.0low000001
chlorhexidinebiguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
202320231.0low000001
sgd 301-76conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
antiinfective agent2013201311.0low000010
fluvoxamine maleate(trifluoromethyl)benzenes2013201311.0low000010
thioacetazone2013201311.0low000010
azimilideimidazolidine-2,4-dione2008200816.0low000100
gemifloxacin1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
201620168.0low000010
gs-73406-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester
antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
202320231.0low000001
dexlansoprazolebenzimidazoles;
sulfoxide
201320169.5low000020
gemifloxacin mesylatemethanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
2013201311.0low000010
fosinopril2008201612.0medium000110
armodafinil2-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
201620168.0medium000010
iniparibcarbonyl compound;
organohalogen compound
202320231.0low000001
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide202320231.0low000001
pri-2205202320231.0low000001
exp-31792003201117.0high000110
pratosartanbiphenylyltetrazoleantihypertensive agent1996201021.0high001100
mk 0752202320231.0low000001
givinostatcarbamate ester202320231.0low000001
tomopenem2008200915.5medium000200
pd 144418202320231.0medium000001
bicyclol202320231.0low000001
midostaurinbenzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
202320231.0low000001
sincalideoligopeptide201620168.0low000010
tapentadolalkylbenzene201620168.0low000010
ly 450139peptide202320231.0low000001
ursodoxicoltaurinebile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
2010201014.0low000100
bb-836982008200816.0medium000100
l 1634911996199628.0medium001000
pentagastrinorganic molecular entity201620168.0low000010
mocetinostataminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
202320231.0low000001
abt-7702008200816.0medium000100
cefditorencarboxylic acid;
cephalosporin
antibacterial drug201620168.0low000010
rivaroxabanaromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
201320236.0low000011
zotarolimuslactam;
macrolide
2008200816.0low000100
sb 3ct compoundaromatic ether202320231.0low000001
molindone hydrochlorideindoles2010201014.0medium000200
9-n-(1-propyl)erythromyclamine2008200816.0medium000100
ginsenoside rb1ginsenoside;
glycoside;
tetracyclic triterpenoid
anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
202320231.0low000001
gentamicin sulfate2008201014.8low000400
bn 520202008201015.0medium000200
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
tofacitinibN-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
rucaparibazepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound
antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
202320231.0low000001
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
202320231.0low000001
ema4011996199628.0medium001000
cetilistatbenzoxazine202320231.0low000001
ym 201636aromatic amide202320231.0low000001
azacosterol2008200816.0low000100
linagliptinaminopiperidine;
quinazolines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
202320231.0low000001
pazopanibaminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
201320169.5low000020
azd 6244benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
202320231.0low000001
odanacatib202320231.0low000001
prasugrel hydrochloride201620168.0low000010
apilimod202320231.0low000001
apixabanaromatic ether;
lactam;
piperidones;
pyrazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
202320231.0low000001
betrixabanbenzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
202320231.0low000001
edoxabanchloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
202320231.0low000001
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
202320231.0low000001
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamidetripeptide;
ureas
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
202320231.0low000001
homatropine methylbromide2008200816.0low000100
ly 411575dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol
EC 3.4.23.46 (memapsin 2) inhibitor202320231.0low000001
galidesivir202320231.0low000001
PB28aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
202320231.0low000001
amg 0092013201311.0low000010
cefotaxime sodiumorganic sodium salt2013201311.0low000010
baci-imhomodetic cyclic peptide;
polypeptide;
zwitterion
antibacterial agent;
antimicrobial agent
2010201612.0medium000210
degrasyn202320231.0low000001
epoxomicinmorpholines;
tripeptide
proteasome inhibitor202320231.0low000001
bms 477118adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
201620234.5low000011
pha 680632202320231.0low000001
tmc 353121202320231.0medium000001
amd 070aminoquinoline202320231.0low000001
danoprevir202320231.0low000001
nystatin a1nystatins201620168.0low000010
bms-626529202320231.0low000001
bms-663068202320231.0low000001
amenamevir202320231.0low000001
vx 765dipeptide202320231.0low000001
Dihydrotanshinone Iabietane diterpenoidanticoronaviral agent202320231.0low000001
alogliptinnitrile;
piperidines;
primary amino compound;
pyrimidines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
202320231.0low000001
fr 180204pyrazoles;
ring assembly
202320231.0low000001
quisinostatindoles202320231.0low000001
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
202320231.0low000001
hcv 796202320231.0low000001
cytidine diphosphate cholinenucleotide-(amino alcohol)s;
phosphocholines
human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
2010201014.0high000200
resminostat202320231.0low000001
milnacipranacetamides201620168.0low000010
vindesine2008200816.0medium000200
zk 756326aromatic ether202320231.0medium000001
balapiravir202320231.0low000001
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
202320231.0low000001
deoxyarbutin202320231.0low000001
abexinostatbenzofurans202320231.0low000001
losartan potassium2003201316.0low000110
silvestroldioxanes;
ether;
methyl ester;
organic heterotricyclic compound
antineoplastic agent;
metabolite
202320231.0low000001
narlaprevirazabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas
anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor
202320231.0low000001
teneligliptinamino acid amide202320231.0medium000001
dextrothyroxine202320231.0low000001
veliparibbenzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
scopolamine hydrobromide2008201612.7low000210
dactolisibimidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2013201311.0low000010
pf 03491390202320231.0low000001
alloinanthracenes;
C-glycosyl compound;
cyclic ketone;
phenols
laxative;
metabolite
202320231.0medium000001
rabeprazole sodiumorganic sodium salt2013201311.0low000010
mdv 3100(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound
androgen antagonist;
antineoplastic agent
202320231.0low000001
amodiaquine hydrochloride2008200816.0low000100
clindamycin hydrochlorideS-glycosyl compound2010201014.0high000200
bms-650032oligopeptide202320231.0low000001
bisaramil2008200816.0low000100
rg 7128202320231.0low000001
bivalirudinpolypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
201320169.5low000020
somatostatinheterodetic cyclic peptide;
peptide hormone
2013201311.0low000010
teicoplanin2008200915.5high000200
enfuvirtide201620168.0low000010
ganirelixpolypeptide201620168.0low000010
teriparatidepolypeptide201620168.0medium000010
salmon calcitoninheterodetic cyclic peptide;
peptide hormone;
polypeptide
bone density conservation agent;
metabolite
201620168.0medium000010
ly-146032heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide
antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
2008201612.5low000220
dalbavancincarbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative
antibacterial drug;
antimicrobial agent
2008200816.0medium000100
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamidepolypeptide201620168.0low000010
oritavancindisaccharide derivative;
glycopeptide;
semisynthetic derivative
antibacterial drug;
antimicrobial agent
202320231.0low000001
exenatide201620168.0low000010
warfarin sodium2013201311.0medium000010
quinine sulfatehydrate2010201014.0medium000200
pevonedistatcyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate
antineoplastic agent;
apoptosis inducer
202320231.0low000001
uk 453,061aromatic ether202320231.0low000001
pravastatin sodiumorganic sodium salt;
statin (semi-synthetic)
anticholesteremic drug2013201311.0low000010
alendronate sodium2013201311.0medium000010
N-(2-aminophenyl)-2-pyrazinecarboxamidearomatic amide202320231.0medium000001
sl 80.07502013201311.0medium000010
cefotiam hydrochloride2010201014.0medium000200
tegobuvir202320231.0low000001
pf-429242202320231.0low000001
mesnaorganosulfonic acid201320169.5low000020
potassium aminobenzoate2010201014.0medium000200
ampicillin sodiumorganic sodium salt2010201014.0low000100
clavulanate potassiumpotassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
2013201311.0medium000010
sodium lactatelactate salt;
organic sodium salt
food acidity regulator;
food preservative
201620168.0low000010
piperacillin sodiumorganic sodium salt2013201311.0low000010
sodium iothalamate201620168.0low000010
methicillin sodiumorganic sodium salt2010201014.0medium000200
nafcillin sodiumorganic sodium salt2010201014.0medium000200
oxacillin sodiumorganic sodium salt2013201311.0low000010
penicillin g sodiumorganic sodium salt2010201014.0low000200
cefamandole nafateorganic sodium saltantibacterial drug2010201014.0medium000200
cephapirin sodiumcephalosporin;
organic sodium salt
antibacterial drug2010201014.0medium000200
sodium cephalothinorganic sodium salt2010201014.0medium000200
cefazolin sodiumorganic sodium salt2013201311.0low000010
dicloxacillin sodiumhydrate2010201014.0medium000200
azlocillin sodiumorganic sodium salt2010201313.0high000210
olaparibcyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines
antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
202320231.0low000001
cx 4945202320231.0low000001
pci 34051indolecarboxamide202320231.0low000001
lomibuvirthiophenecarboxylic acid202320231.0low000001
delanzomibC-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative
antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
202320231.0low000001
pitavastatin(1-)hydroxy monocarboxylic acid anion202320231.0medium000001
GRL-0617benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline
anticoronaviral agent;
protease inhibitor
202320231.0low000001
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl estercarbamate ester202320231.0low000001
niraparib2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
202320231.0low000001
jzl 184benzodioxoles202320231.0low000001
gsk 650394phenylpyridine202320231.0low000001
oprozomib202320231.0low000001
cetrorelixoligopeptideantineoplastic agent;
GnRH antagonist
2008201612.0low000110
az 960202320231.0low000001
golgicide adiastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor202320231.0low000001
cobicistat1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas
P450 inhibitor202320231.0low000001
bms-790052biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative
antiviral drug;
nonstructural protein 5A inhibitor
202320231.0low000001
ixazomibbenzamides;
boronic acids;
dichlorobenzene;
glycine derivative
antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
202320231.0low000001
ucph 101202320231.0low000001
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
202320231.0low000001
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
202320231.0low000001
KOM70144acetamides;
benzamides;
naphthalenes;
secondary carboxamide
anticoronaviral agent;
protease inhibitor
202320231.0medium000001
e-52862202320231.0low000001
ly2811376202320231.0low000001
anagliptinamino acid amide202320231.0low000001
gardiquimod202320231.0low000001
grazopreviraromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative
antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent
202320231.0low000001
abt-450202320231.0low000001
letermovir202320231.0low000001
sofosbuvirisopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester
antiviral drug;
hepatitis C protease inhibitor;
prodrug
202320231.0low000001
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-aminebenzoxazole202320231.0low000001
blz 945202320231.0medium000001
azd3839202320231.0medium000001
pf 3084014202320231.0low000001
unc 0638quinazolines202320231.0low000001
gs-9620202320231.0low000001
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide202320231.0low000001
bms 708163oxadiazole;
ring assembly
202320231.0low000001
jq1 compoundcarboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
202320231.0low000001
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone202320231.0low000001
gsk525762abenzodiazepine202320231.0low000001
ML240aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound
antineoplastic agent202320231.0low000001
birinapantdipeptide202320231.0low000001
ly2886721202320231.0medium000001
nms-p118202320231.0medium000001
tubastatin ahydroxamic acid;
pyridoindole;
tertiary amino compound
EC 3.5.1.98 (histone deacetylase) inhibitor202320231.0low000001
pracinostatbenzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
202320231.0low000001
spautin-1202320231.0low000001
ldn 57444202320231.0low000001
gsk1210151aimidazoquinoline202320231.0low000001
i-bet726202320231.0low000001
acy-1215pyrimidinecarboxylic acid202320231.0low000001
cudc-907202320231.0low000001
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
2010201612.0low000210
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
201420169.0low000020
novobiocincarbamate 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
2008201014.7low000300
tetracycline2008201613.6low000720
chlortetracycline2008200816.0low000200
oxytetracycline, anhydrous2008201613.0low000210
minocycline2008201612.7low000210
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
2010201611.8low000220
roquinimexaromatic amide2008201313.7low000210
acenocoumarolC-nitro compound;
hydroxycoumarin;
methyl ketone
anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
2010201014.0low000200
mobic1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide
analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2008202311.3low000421
mobiflexheteroaryl 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
2008201314.0low000410
isoxicambenzothiazine;
isoxazoles;
monocarboxylic acid amide
antirheumatic drug;
non-steroidal anti-inflammatory drug
2008201314.0low000510
warfarinbenzenes;
hydroxycoumarin;
methyl ketone
2008201613.9low000610
bephenium hydroxynaphthoate2008200816.0low000100
demeclocycline2008201612.0low000110
phenprocoumonhydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
2008200816.0low000100
tipranavirsulfonamideantiviral drug;
HIV protease inhibitor
201620234.5low000011
chlortetracycline hydrochloride2010201014.0medium000200
tasquinimod202320231.0low000001
rolitetracycline2008200816.0low000100
sudoxicam2010201014.0low000100
methacycline monohydrochloride2010201014.0low000200
minocycline hydrochloride2010201313.0medium000210
demeclocycline hydrochloride2010201014.0low000200
tigecycline2008201612.5low000220
lornoxicamheteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2013201311.0low000010
gsk1265744difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide
HIV-1 integrase inhibitor202320231.0low000001
dolutegravirdifluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide
HIV-1 integrase inhibitor2014201410.0low000010
abt-267aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines
antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
202320231.0low000001
abt-333aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide
antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
202320231.0low000001
rgfp966202320231.0low000001
rg2833202320231.0medium000001
pi-1840202320231.0medium000001
acy-738202320231.0medium000001
pelabresibmonochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide
antineoplastic agent;
bromodomain-containing protein 4 inhibitor
202320231.0low000001
gs-5806202320231.0low000001
doravirine202320231.0low000001
gn6958202320231.0medium000001
vx-787202320231.0low000001
ledipasvirazaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound
antiviral drug;
hepatitis C protease inhibitor
202320231.0low000001
gs-5816carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly
antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
202320231.0low000001
g007-lk202320231.0low000001
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide202320231.0low000001
selinexor202320231.0low000001
verdinexor202320231.0low000001
cb-839202320231.0low000001
mk-8742carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly
antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
202320231.0low000001
atglistatin202320231.0low000001
xen445202320231.0medium000001
santacruzamate aorganonitrogen compound;
organooxygen compound
202320231.0medium000001
fertinex201620168.0medium000010
ldc4297aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
202320231.0medium000001
enasidenib1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol
antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
202320231.0low000001
s 8932aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine
anticoronaviral agent;
antiviral drug;
prodrug
202320231.0low000001
entecavir2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
201320236.7low000021
acyclovir2-aminopurines;
oxopurine
antimetabolite;
antiviral drug
2008202311.3low000421
nu 1025phenols;
quinazolines
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor202320231.0low000001
folic acidfolic acids;
N-acyl-amino acid
human metabolite;
mouse metabolite;
nutrient
2008201613.0low000310
viomycinheterodetic cyclic peptide;
peptide antibiotic
antitubercular agent2008200816.0low000100
rifampincyclic 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
2008201613.2low000620
clozapinebenzodiazepine;
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
2008201613.6low000720
dacarbazinedacarbazine2008201613.2low000420
didanosinepurine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
2008202311.6low000521
ganciclovir2-aminopurines;
oxopurine
antiinfective agent;
antiviral drug
2008202311.3low000421
valtrexorganic molecular entity2013201311.0low000010
valacyclovirL-valyl esterantiviral drug201620234.5low000011
sildenafilpiperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2008201613.2low000310
olanzapinebenzodiazepine;
N-arylpiperazine;
N-methylpiperazine
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
2008201611.7low000120
penciclovir2-aminopurines;
propane-1,3-diols
antiviral drug2008202311.5low000301
raltitrexedN-acyl-amino acid2013201311.0low000010
vardenafilimidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
2008201613.2medium000310
allopurinolnucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
2008201613.5low000620
citrovorum factortetrahydrofolic acid2010201611.8high000220
leucovorinformyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
2008201613.2medium000310
rifapentineN-alkylpiperazine;
N-iminopiperazine;
rifamycins
antitubercular agent;
leprostatic drug
201320169.5low000020
4-hydroxyquinazolinequinazolines202320231.0low000001
bl 4162aimidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
201620168.0low000010
tegaserodcarboxamidine;
guanidines;
hydrazines;
indoles
gastrointestinal drug;
serotonergic agonist
2008202310.8low000311
norclozapinedibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
202320231.0low000001
pemetrexedN-acyl-L-glutamic acid;
pyrrolopyrimidine
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
201620234.5low000011
tirapazaminearomatic amine;
benzotriazines;
N-oxide
antibacterial agent;
antineoplastic agent;
apoptosis inducer
2008200816.0low000100
sildenafil citratecitrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2013201311.0low000010
valganciclovirL-valyl ester;
purines
antiviral drug;
prodrug
201620168.0low000010
aprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
200820239.0low000121
fosaprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles
antiemetic;
neurokinin-1 receptor antagonist;
prodrug
201620168.0low000010
tegaserod maleatemaleate saltserotonergic agonist2013201311.0medium000010
ceftobiprolecephalosporin;
thiadiazoles
antimicrobial agent2008200816.0low000100
rifabutin2008201613.2high000620
azilsartan1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent
201020237.5low000101
hesperadin202320231.0low000001
6-bromoindirubin-3'-acetoxime202320231.0medium000001
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazidecatechols;
hydrazide;
hydrazone;
naphthols
EC 3.6.5.5 (dynamin GTPase) inhibitor202320231.0medium000001
levomefolate calciumorganic calcium saltantidepressant201620168.0medium000010
XL413benzofuropyrimidine;
organochlorine compound;
pyrrolidines
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
202320231.0medium000001
me0328202320231.0medium000001
nvp-tnks656202320231.0medium000001
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
n(g),n(g')-dimethyl-l-argininealpha-amino acid2002200819.0low100200
glycinealpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid
EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
1992199232.0low001000
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2009201213.5low000110
nitratesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
201520159.0low000010
nitritesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
human metabolite201520159.0low000010
uric aciduric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
1996202120.8low403101
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2006200916.3low200300
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2002200620.0low100200
bisoprololsecondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
201620168.0low000010
candesartan cilexetilbiphenyls1995202018.0low002110
candesartanbenzimidazolecarboxylic acid;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2000201421.1low1021610
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
2008200816.0low100100
chlorthalidoneisoindoles;
monochlorobenzenes;
sulfonamide
202020204.0low000010
desipraminedibenzoazepine;
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
2004200420.0low000100
doxazosinaromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
2002200222.0low000100
erythrosine2010201014.0low000100
fluconazoleconazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
1997199727.0low101000
glyburidemonochlorobenzenes;
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
1997199727.0low101000
hydralazineazaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
2004200420.0low000100
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
1999202018.3low802920
indapamideindoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
201620168.0low000010
indomethacinaromatic 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
1995199529.0low001000
avaproazaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1995202020.1low0061630
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
1992202221.5low90152622
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
2009200915.0low000100
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
2005200917.4low3001100
pd 98059aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
201520159.0low000010
moxonidineorganohalogen compound;
pyrimidines
2002200919.0low100300
pioglitazonearomatic ether;
pyridines;
thiazolidinediones
antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
2005202111.0low000101
potassium chlorideinorganic chloride;
inorganic potassium salt;
potassium salt
fertilizer2008200816.0low000100
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2003200321.0low000100
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
2002200222.0low000100
spironolactone3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2005200519.0low000100
aldosterone11beta-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
1997201023.2low304100
lysineaspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid
algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low100100
histidineamino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
1995199529.0low001000
valineL-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
1995201421.2low2041410
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1995200822.3low101200
acetonitrilealiphatic nitrile;
volatile organic compound
EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
2014201410.0low000010
tert-butylhydroperoxidealkyl hydroperoxideantibacterial agent;
oxidising agent
2008200816.0low100100
isosorbide dinitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2003200321.0low100100
thiophenesmancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound
non-polar solvent1991202220.0low77072150296
pyrazolanthroneanthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
201520159.0low000010
indazolesindazole2009200915.0low000100
malondialdehydedialdehydebiomarker201520159.0low000010
dithiothreitol1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol
chelator;
human metabolite;
reducing agent
1992199232.0low001000
platinumelemental platinum;
nickel group element atom;
platinum group metal atom
2008200816.0low000100
ceriumf-block element atom;
lanthanoid atom
2008200816.0low000100
isosorbide-5-mononitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2003200321.0low100100
ribavirin1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide
anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
202020204.0low000010
ng-nitroarginine methyl esteralpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor1999199925.0low001000
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
1992200526.1low104300
moxalactamcephalosporin;
oxacephem
antibacterial drug202320231.0low000001
dup 5321995199529.0low001000
valsartanbiphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1995202019.7low2041430
fluorexonxanthene dyefluorochrome2010201014.0low000100
glutathione disulfideglutathione derivative;
organic disulfide
Escherichia coli metabolite;
mouse metabolite
202220222.0low000001
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
1995200920.6low3031600
fibrinogeniditolfungal metabolite2004200420.0low100100
perindoprilalpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
1999200522.0low101200
exp3174biphenylyltetrazole;
imidazoles;
organochlorine compound
metabolite1992200427.0low105200
pd 123177diarylmethane1992199232.0low001000
cgp 42112abenzyl ester;
oligopeptide;
pyridinecarboxamide
angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent
1992199331.5low002000
n(6)-carboxymethyllysineL-lysine derivative;
non-proteinogenic L-alpha-amino acid
antigen2010201014.0low100100
n,n-dimethylargininedimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor2002200819.0low100200
wl 191992199331.5medium002000
exp77112003200321.0low000100
olmesartan medoxomilbiphenyls2003201018.7low000300
ici d87311995199529.0low001000
forasartanbenzenes;
pyridines;
tetrazoles;
triazoles
angiotensin receptor antagonist;
antihypertensive agent
1995200325.0medium001100
omega-n-methylarginineamino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
2002200222.0low100100
embusartan2001200123.0medium000100
olmesartanbiphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
2010201412.0low000110
angiotensin iiamino acid zwitterion;
angiotensin II
human metabolite1991202223.3low120283131
atropine2002200222.0low000100
l 1588091995199529.0low001000
darunavircarbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
202320231.0low000001
dihydropyridines2001200123.0low000100
fibrinpeptide2002200222.0low100100
bradykininoligopeptidehuman blood serum metabolite;
vasodilator agent
1999200522.0low101100
nitroarginineguanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
1995199529.0low001000
betadexcyclodextrin202220222.0low000001
phosphoramidondeoxyaldohexose phosphate;
dipeptide
bacterial metabolite;
EC 3.4.24.11 (neprilysin) inhibitor;
EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
1994199430.0low001000
prostaglandin d2prostaglandins Dhuman metabolite;
mouse metabolite
201520159.0low000010
gw9662benzamides2008200816.0low000100
D-fructopyranosecyclic hemiketal;
D-fructose;
fructopyranose
sweetening agent202120213.0low100001
thioacetamidethiocarboxamidehepatotoxic agent202220222.0low000001
digoxincardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
1997201020.5low101100
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
1998199826.0low101000
milfasartan2008200816.0medium000100
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
202220222.0low000001
thromboxane a2epoxy monocarboxylic acid;
thromboxanes A
mouse metabolite2003200321.0low000100
kallidinpeptide2005200519.0low100100
lisinoprildipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2008200915.5low100200
ramiprilazabicycloalkane;
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
2009200915.0low000100
sulfurchalcogen;
nonmetal atom
macronutrient2008200816.0low000100
enalaprildicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
1992200923.7low120121100
tetrodotoxinazatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid
animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker
2004200420.0low000100
eprosartan mesylate dihydrate1999199925.0medium001000
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2009200915.0low000100
icatibant1999199925.0low001000
atrial natriuretic factorpolypeptide2001200920.3low100300
endothelin-12003200321.0low000100
15-deoxyprostaglandin j2201520159.0low000010
3h-imidazo(4,5-b)pyridine, 2-butyl-3-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, sodium salt1995199529.0medium001000
natriuretic peptide, brainpolypeptide2010201014.0low100100
warfarinbenzenes;
hydroxycoumarin;
methyl ketone
1998199826.0low101000
angiotensin iangiotensin;
peptide zwitterion
human metabolite;
neurotransmitter agent
1992200525.2low103300
chondroitin sulfates201520159.0low000010
cyclic gmp3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1998199826.0low001000
allopurinolnucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
1995199529.0low001000
guanylyl imidodiphosphatenucleoside triphosphate analogue1992199232.0low001000
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Disease02003200321.0low100100
Acute Kidney Failure01993202316.0low001001
Acute Kidney Injury01993202316.0low001001
Acute Liver Injury, Drug-Induced02010202210.9low000331
Acute Onset Vascular Dementia02007200717.0low100100
Advanced Sleep Phase Syndrome02012201212.0low000010
Adverse Drug Event02011201312.0low000020
Aging01998200423.0low001100
Anemia, Sickle Cell0202220222.0low000001
Aneurysm, Arteriovenous02005200519.0low000100
Angiitis02002200421.0low000200
Angioedema02001200123.0low000100
Angiogenesis, Pathologic02014201410.0low000010
Angioneurotic Edema02001200123.0low000100
ANS (Autonomic Nervous System) Diseases02001200123.0low000100
Anterior Circulation Transient Ischemic Attack02006200917.0low200300
Apoplexy02000200918.6low5011800
Arteriosclerosis, Coronary02002200222.0low000100
Atherogenesis02007200717.0low000100
Atherosclerosis02007200717.0low000100
Benign Neoplasms0200920238.3low000111
Blood Clot02002200222.0low000100
Blood Pressure, High01992202119.5high5202791132
Body Weight02001200222.7low000300
Brain Ischemia02005200519.0low000100
Brain Vascular Disorders01999202115.0low001101
Bright Disease02007200717.0low100100
Burning Mouth Syndrome02002200222.0low000100
Carcinoma, Epidermoid0202320231.0low000001
Carcinoma, Squamous Cell0202320231.0low000001
Cardiac Failure01998200721.6low403800
Cardiac Hypertrophy01998200522.7low001200
Cardiac Neurosis02003200321.0low000100
Cardiac Remodeling, Ventricular02001200521.0low000200
Cardiomegaly01998200522.7low001200
Cardiometabolic Syndrome0200820219.5low100101
Cardiovascular Diseases11999201317.9low2011120
Celiac Disease0201520159.0low000010
Celiac Sprue0201520159.0low000010
Cerebral Ischemia02005200519.0low000100
Cerebrovascular Disorders01999202115.0low001101
Chemical and Drug Induced Liver Injury02010202210.9low000331
Chronic Disease02005200718.0low200200
Chronic Illness02005200718.0low200200
Chronic Kidney Diseases02013201311.0low100010
Chronic Kidney Failure02004200420.0low100100
Cirrhosis0202220222.0low000001
Cognition Disorders02007200816.8low200400
Complications of Diabetes Mellitus02004200818.0low000200
Congenital Zika Syndrome0202020204.0low000010
Coronary Artery Disease02002200222.0low000100
Coronary Disease02002201416.0low000110
Coronary Heart Disease02002201416.0low000110
Cough01993200923.8low504400
Decerebrate Posturing01992200127.3low002100
Dementia, Vascular02007200717.0low100100
Diabetes Mellitus02002200222.0low000100
Diabetes Mellitus, Adult-Onset01997202117.0low201201
Diabetes Mellitus, Type 201997202117.0low201201
Diabetic Angiopathies02004200420.0low100100
Diabetic Glomerulosclerosis02000201517.7low001110
Diabetic Nephropathies02000201517.7low001110
Diabetic Retinopathy02004200420.0low000100
Diffuse Parenchymal Lung Disease02012201212.0low000010
Disease Exacerbation02002200321.5low000200
Disease Models, Animal01998202017.5low002220
Diseases, Occupational02001200918.5low100400
Dizziness02003200321.0low000100
Dizzyness02003200321.0low000100
Drug-Related Side Effects and Adverse Reactions02011201312.0low000020
Dysgeusia02002200222.0low000100
Essential Hypertension1201620168.0low000010
Fasting Hypoglycemia02005200519.0low100100
Fibrosis0202220222.0low000001
Focal Segmental Glomerulosclerosis01999200323.0low001100
Glomerulonephritis02007200717.0low100100
Glomerulosclerosis, Focal Segmental01999200323.0low001100
HbS Disease0202220222.0low000001
Heart Failure01998200721.6low403800
HIV02014201410.0low000010
HIV Coinfection02014201410.0low000010
HIV Infections02014201410.0low000010
Hypercoagulability02013201311.0low100010
Hyperglycemia02000200024.0low001000
Hyperglycemia, Postprandial02000200024.0low001000
Hypertension01992202119.5high5202791132
Hypertension, Essential0201620168.0low000010
Hypertension, Renal02003200321.0low000100
Hypertrophy, Left Ventricular01999200422.5low101100
Hypoglycemia02005200519.0low100100
Inflammation02002202311.2low000202
Injury, Ischemia-Reperfusion0202120231.7low000003
Injury, Myocardial Reperfusion02014201410.0low000010
Innate Inflammatory Response02002202311.2low000202
Insulin Resistance01999200621.0low001200
Insulin Sensitivity01999200621.0low001200
Interstitial Nephritis02003200321.0low000100
Ischemia0202320231.0low000001
Ischemic Attack, Transient02006200917.0low200300
Kidney Diseases12000200820.5low001500
Kidney Failure01998199925.5low102000
Kidney Failure, Chronic02004200420.0low100100
Left Ventricular Dysfunction02003200719.3low100300
Left Ventricular Hypertrophy01999200422.5low101100
Lung Diseases, Interstitial02012201212.0low000010
Metabolic Syndrome0200820219.5low100101
Neoplasms0200920238.3low000111
Nephritis, Interstitial02003200321.0low000100
Overweight02009200915.0low100100
Proteinuria01999200323.2low002200
Recrudescence02003200918.3low200300
Renal Artery Obstruction01992199232.0low001000
Renal Artery Stenosis01992199232.0low001000
Renal Insufficiency01998199925.5low102000
Renal Insufficiency, Chronic02013201311.0low100010
Reperfusion Injury0202120231.7low000003
Sensitivity and Specificity02006201116.0low000210
Sleep Disorders, Circadian Rhythm02012201212.0low000010
Stroke02000200918.6low5011800
Thrombophilia02013201311.0low100010
Thrombosis02002200222.0low000100
Vasculitis02002200421.0low000200
Ventricular Dysfunction02010201014.0low100100
Ventricular Dysfunction, Left02003200719.3low100300
Zika Virus Infection0202020204.0low000010

Safety/Toxicity (8)

ArticleYear
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
PLoS computational biology, , Volume: 7, Issue:12
2011
Developing structure-activity relationships for the prediction of hepatotoxicity.
Chemical research in toxicology, , Jul-19, Volume: 23, Issue:7
2010
Effectiveness and safety of eprosartan on pulse pressure for the treatment of hypertensive patients.
International journal of clinical practice, , Volume: 59, Issue:4
2005
Safety and tolerability of eprosartan in combination with hydrochlorothiazide.
Drug safety, , Volume: 25, Issue:8
2002
Eprosartan provides safe and effective long-term maintenance of blood pressure control in patients with mild to moderate essential hypertension.
Current medical research and opinion, , Volume: 17, Issue:1
2001
Efficacy and safety of eprosartan in severe hypertension. Eprosartan Multinational Study Group.
Blood pressure, , Volume: 8, Issue:2
1999
Effects of eprosartan versus enalapril in hypertensive patients on the renin-angiotensin-aldosterone system and safety parameters: results from a 26-week, double-blind, multicentre study. Eprosartan Multinational Study Group.
Current medical research and opinion, , Volume: 15, Issue:1
1999
Safety and tolerability of eprosartan.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999

Long-term Use (3)

ArticleYear
Risk reduction by preventing stroke: need for blockade of angiotensin II and catecholamines?
Current medical research and opinion, , Volume: 23 Suppl 5
2007
[Candesartan - a novel AT(1)-angiotensin receptor blocker: peculiarities of pharmacology and experience of use in arterial hypertension].
Kardiologiia, , Volume: 44, Issue:1
2004
Effects of eprosartan on renal function and cardiac hypertrophy in rats with experimental heart failure.
Hypertension (Dallas, Tex. : 1979), , Volume: 32, Issue:4
1998

Pharmacokinetics (15)

ArticleYear
Pharmacokinetic-pharmacodynamic modeling of the antihypertensive effect of eprosartan in Black and White hypertensive patients.
Clinical pharmacokinetics, , Volume: 52, Issue:9
2013
Physicochemical determinants of human renal clearance.
Journal of medicinal chemistry, , Aug-13, Volume: 52, Issue:15
2009
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 36, Issue:7
2008
Pharmacokinetics and urinary excretion of eprosartan in Chinese healthy volunteers of different gender.
Die Pharmazie, , Volume: 62, Issue:10
2007
Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists.
Journal of medicinal chemistry, , Jun-30, Volume: 48, Issue:13
2005
Pharmacokinetics and protein binding of eprosartan in hemodialysis-dependent patients with end-stage renal disease.
Pharmacotherapy, , Volume: 19, Issue:5
1999
A review of eprosartan pharmacokinetic and pharmacodynamic drug interaction studies.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
Pharmacokinetics of eprosartan in healthy subjects, patients with hypertension, and special populations.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
Effect of age and gender on the pharmacokinetics of eprosartan.
British journal of clinical pharmacology, , Volume: 46, Issue:3
1998
Pharmacokinetics of intravenously and orally administered eprosartan in healthy males: absolute bioavailability and effect of food.
Biopharmaceutics & drug disposition, , Volume: 19, Issue:6
1998
Pharmacokinetics and protein binding of eprosartan in healthy volunteers and in patients with varying degrees of renal impairment.
Journal of clinical pharmacology, , Volume: 38, Issue:2
1998
Effect of ranitidine on the pharmacokinetics of orally administered eprosartan, an angiotensin II antagonist, in healthy male volunteers.
The Annals of pharmacotherapy, , Volume: 32, Issue:3
1998
Effect of hepatic disease on the pharmacokinetics and plasma protein binding of eprosartan.
Pharmacotherapy, , Volume: 18, Issue:1
Effect of fluconazole on the pharmacokinetics of eprosartan and losartan in healthy male volunteers.
Clinical pharmacology and therapeutics, , Volume: 62, Issue:4
1997
Lack of effect of eprosartan on the single dose pharmacokinetics of orally administered digoxin in healthy male volunteers.
British journal of clinical pharmacology, , Volume: 43, Issue:6
1997

Bioavailability (9)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5
2019
Risk assessment and QbD based optimization of an Eprosartan mesylate nanosuspension: In-vitro characterization, PAMPA and in-vivo assessment.
International journal of pharmaceutics, , Aug-15, Volume: 567
2019
Formulation and statistical optimization of self-microemulsifying drug delivery system of eprosartan mesylate for improvement of oral bioavailability.
Drug delivery and translational research, , Volume: 6, Issue:5
2016
Interaction of angiotensin receptor type 1 blockers with ATP-binding cassette transporters.
Biopharmaceutics & drug disposition, , Volume: 31, Issue:2-3
2010
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
Journal of medicinal chemistry, , Feb-11, Volume: 53, Issue:3
2010
Effects of enalapril and eprosartan on the renal vascular nitric oxide system in human essential hypertension.
Kidney international, , Volume: 61, Issue:4
2002
Pharmacokinetics of eprosartan in healthy subjects, patients with hypertension, and special populations.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
Effect of age and gender on the pharmacokinetics of eprosartan.
British journal of clinical pharmacology, , Volume: 46, Issue:3
1998
Pharmacokinetics of intravenously and orally administered eprosartan in healthy males: absolute bioavailability and effect of food.
Biopharmaceutics & drug disposition, , Volume: 19, Issue:6
1998

Dosage (26)

ArticleYear
Celiac disease-like enteropathy due to antihypertensive therapy with the angiotensin-II receptor type 1 inhibitor eprosartan.
Ceskoslovenska patologie, , Volume: 51, Issue:2
2015
Eprosartan: a review of its use in hypertension.
Drugs, , Volume: 69, Issue:17
2009
Spectral and polarographic determination of eprosartan. Kinetic studies of the oxidation of eprosartan using a platinum electrode.
Die Pharmazie, , Volume: 63, Issue:6
2008
Peripheral sympatholytic actions of four AT1 antagonists: are they relevant for long-term antihypertensive efficacy?
Journal of hypertension, , Volume: 23, Issue:10
2005
[Cerebral hemodynamics and endothelium function in patients with cerebrovascular pathology treated by teveten].
Zhurnal nevrologii i psikhiatrii imeni S.S. Korsakova, , Issue:Suppl 13
2005
[Antihypertensive treatment with eprosartan mesilate of patients in acute and late periods of ischemic stroke].
Zhurnal nevrologii i psikhiatrii imeni S.S. Korsakova, , Volume: 103, Issue:11
2003
Emerging role of angiotensin II type 1 receptor blockers for the treatment of endothelial dysfunction and vascular inflammation.
The Canadian journal of cardiology, , Volume: 18, Issue:12
2002
Evaluation of the 24-hour blood pressure effects of eprosartan in patients with systemic hypertension.
American journal of hypertension, , Volume: 14, Issue:12
2001
Inhibition of facilitation of sympathetic neurotransmission and angiotensin II-induced pressor effects in the pithed rat: comparison between valsartan, candesartan, eprosartan and embusartan.
Journal of hypertension, , Volume: 19, Issue:12
2001
Potential of the angiotensin II receptor 1 blocker eprosartan in the management of patients with hypertension or heart failure.
Current hypertension reports, , Volume: 3 Suppl 1
2001
Assessment of once-daily eprosartan, an angiotensin II antagonist, in patients with systemic hypertension. Eprosartan Study Group.
Clinical therapeutics, , Volume: 21, Issue:3
1999
Effect of eprosartan and enalapril in the treatment of black hypertensive patients: subgroup analysis of a 26-week, double-blind, multicentre study. Eprosartan Multinational Study Group.
Current medical research and opinion, , Volume: 15, Issue:1
1999
Effects of eprosartan versus enalapril in hypertensive patients on the renin-angiotensin-aldosterone system and safety parameters: results from a 26-week, double-blind, multicentre study. Eprosartan Multinational Study Group.
Current medical research and opinion, , Volume: 15, Issue:1
1999
Effect of eprosartan and enalapril in the treatment of elderly hypertensive patients: subgroup analysis of a 26-week, double-blind, multicentre study. Eprosartan Multinational Study Group.
Current medical research and opinion, , Volume: 15, Issue:1
1999
Safety and tolerability of eprosartan.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
Clinical efficacy of eprosartan.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
A review of eprosartan pharmacokinetic and pharmacodynamic drug interaction studies.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
Pharmacokinetics of eprosartan in healthy subjects, patients with hypertension, and special populations.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999
The efficacy and tolerance of one or two daily doses of eprosartan in essential hypertension. The Eprosartan Multinational Study Group.
Journal of hypertension, , Volume: 17, Issue:1
1999
Eprosartan.
Drugs, , Volume: 55, Issue:5
1998
A dose-response study to assess the renal hemodynamic, vascular, and hormonal effects of eprosartan, an angiotensin II AT1-receptor antagonist, in sodium-replete healthy men.
Clinical pharmacology and therapeutics, , Volume: 63, Issue:4
1998
Effect of ranitidine on the pharmacokinetics of orally administered eprosartan, an angiotensin II antagonist, in healthy male volunteers.
The Annals of pharmacotherapy, , Volume: 32, Issue:3
1998
Effect of hepatic disease on the pharmacokinetics and plasma protein binding of eprosartan.
Pharmacotherapy, , Volume: 18, Issue:1
Effect of fluconazole on the pharmacokinetics of eprosartan and losartan in healthy male volunteers.
Clinical pharmacology and therapeutics, , Volume: 62, Issue:4
1997
Lack of effect of eprosartan on the single dose pharmacokinetics of orally administered digoxin in healthy male volunteers.
British journal of clinical pharmacology, , Volume: 43, Issue:6
1997
Pharmacological characterization of the nonpeptide angiotensin II receptor antagonist, SK&F 108566.
The Journal of pharmacology and experimental therapeutics, , Volume: 260, Issue:1
1992

Interactions (3)

ArticleYear
Safety and tolerability of eprosartan in combination with hydrochlorothiazide.
Drug safety, , Volume: 25, Issue:8
2002
Improvement of cardiac output in patients with severe heart failure by use of ACE-inhibitors combined with the AT1-antagonist eprosartan.
European journal of heart failure, , Volume: 2, Issue:2
2000
A review of eprosartan pharmacokinetic and pharmacodynamic drug interaction studies.
Pharmacotherapy, , Volume: 19, Issue:4 Pt 2
1999