Compounds > bendazac
Page last updated: 2024-09-20

bendazac

Description

bendazac : A monocarboxylic acid that is glycolic acid in which the hydrogen attached to the 2-hydroxy group is replaced by a 1-benzyl-1H-indazol-3-yl group. Although it has anti-inflammatory, antinecrotic, choleretic and antilipidaemic properties and has been used for the treatment of various inflammatory skin disorders, its principal effect is to inhibit the denaturation of proteins. Its lysine salt is used in the management of cataracts. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID2313
CHEMBL ID1089221
CHEBI ID31257
SCHEMBL ID25979
MeSH IDM0040128
PubMed CID23662369
CHEMBL ID3189046
SCHEMBL ID1649722
MeSH IDM0040128

Synonyms (117)

Synonym
AC-6789
((1-benzyl-1h-indazol-3-yl)oxy)acetic acid
bendazacum [inn-latin]
brn 0893958
einecs 243-569-2
((1-(phenylmethyl)-1h-indazol-3-yl)oxy)acetic acid
1-benzylindazole-3-oxyacetic acid
acetic acid, ((1-(phenylmethyl)-1h-indazol-3-yl)oxy)-
bendazac
((1-benzyl-1h-indazol-3-yl)oxy)essigsaeure
acetic acid, ((1-benzyl-1h-indazol-3-yl)oxy)-
versus
af 983
bendazolic acid
zildasac
bindazac
bendazaco [inn-spanish]
bendazac (jan/usan/inn)
20187-55-7
iwazac (tn)
D01594
AKOS000279916
FT-0656910
chebi:31257 ,
af 1934 [lysine]
CHEMBL1089221
iwazac
2-(1-benzylindazol-3-yl)oxyacetic acid
2-(1-benzylindazol-3-yl)oxyacetic acid;2-(1-benzyl-1h-indazol-3-yloxy)acetic acid
A814317
5-23-11-00246 (beilstein handbook reference)
bendazac [usan:inn:ban:jan]
unii-g4ag71204o
bendazaco
bendazacum
g4ag71204o ,
[[1-(phenylmethyl)-1h-indazol-3-yl]oxy]acetic acid
dogalina
[(1-benzyl-1h-indazol-3-yl)oxy]acetic acid
2-(1-benzyl-1h-indazol-3-yloxy)acetic acid
AB07517
af 1934 free acid
bendazac [inn]
bendazac [mi]
bendazac [who-dd]
bendazac [usan]
acetic acid, ((1-(phenylmethyl)-1h-indazol-3-yl)oxy)- (2) ((1-benzyl-1h-indazol-3-yl)oxy)acetic acid.
af-1934 lysine
af-1934 free acid
bendazac [mart.]
bendazac [jan]
S5361
2-((1-benzyl-1h-indazol-3-yl)oxy)acetic acid
SCHEMBL25979
KS-1230
[(1-benzyl-1h-indazol-3-yl)-oxy]acetic acid
DTXSID1048334
mfcd00866158
SY014542
af 1934 (salt/mix)
bendaline (salt/mix)
acetic acid, [[1-(phenylmethyl)-1h-indazol-3-yl]oxy]-
bendazac lysine (salt/mix)
B4223
[(1-benzyl-3-indazolyl)oxy]acetic acid
1-benzyl-3-[1-(carboxy)methoxy]indazole
HY-17480
CS-0009216
bendazac, >=98% (hplc)
J-013103
2-[(1-benzyl-1h-indazol-3-yl)oxy]acetic acid
BCP15554
DB13501
(1-benzyl-1h-indazol-3-yloxy)-aceticacid
Q862414
acetic acid, 2-[[1-(phenylmethyl)-1h-indazol-3-yl]oxy]-
af-983
CCG-267264
bindazac; dogalina; zildasac; zildazac
BB166154
EN300-7361933
NCGC00167461-01
sodium [[1-(phenylmethyl)-1h-indazol-3-yl]oxy]acetate
FT-0655445
einecs 245-528-4
sodium ((1-(phenylmethyl)-1h-indazol-3-yl)oxy)acetate
4sw243q44z ,
ec 245-528-4
bendazac sodium salt
1-benzyl-3-indazoleoxyacetic acid sodium salt
unii-4sw243q44z
dtxcid8026644
bendazac sodium
tox21_112465
cas-23255-99-4
dtxsid0046644 ,
A816645
sodium 2-(1-benzylindazol-3-yl)oxyacetate
23255-99-4
1h-benzimidazole, 2-(phenylmethyl)-, sodium salt (1:1)
sodium bendazolate
22199-35-5
AKOS015888782
acetic acid, ((1-(phenylmethyl)-1h-indazol-3-yl)oxy)- sodium
((1-benzyl-1h-indazol-3-yl)oxy)acetic acid sodium
bendazac sodium [who-dd]
bendazac sodium salt [mi]
af-1934 sodium
tox21_112465_1
NCGC00263571-01
SCHEMBL1649722
bendazacsodiumsalt
W-107413
CHEMBL3189046
sodium;2-(1-benzylindazol-3-yl)oxyacetate
Q27260446
acetic acid, 2-[[1-(phenylmethyl)-1h-indazol-3-yl]oxy]-, sodium salt (1:1)

Research Excerpts

Overview

ExcerptReference
"Bendazac is a non-steroidal anti-inflammatory drug able to delay the cataractogenic process."( Capezzone De Joannon, A; Cavallo, G; Cazzolla, N; Guglielmotti, A; Marchetti, M; Pinza, M; Soldo, L, 1995)
"Bendazac is a drug previously reported to prevent protein denaturation produced by various agents, including free radicals. "( Ciancarelli-Tozzi, MG; Finazzi-Agro, A; Silvestrini, B, 1989)

Effects

ExcerptReference
"Bendazac has been used as an anti-cataractogenic drug. "( Marques, C; Mota, MC; Pereira, P; Ramalho, JS, 1995)
"Bendazac has been shown to be a strong reacting substrate in a chemical oxidizing system, which mimics a physiological pathway of hydroxy radical generation."( Capezzone De Joannon, A; Cavallo, G; Cazzolla, N; Guglielmotti, A; Marchetti, M; Pinza, M; Soldo, L, 1995)

Actions

ExcerptReference
"Bendazac did not inhibit the reduction of ferricytochrome c due to the superoxide flux in the above system nor did it possess a significant antioxidant activity on Fe(II) or Fe(III)-induced peroxidation of lecithin liposomes."( Musci, G; Silvestrini, B, 1987)

Roles (2)

RoleDescription
radical scavengerA role played by a substance that can react readily with, and thereby eliminate, radicals.
non-steroidal anti-inflammatory drugAn anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (2)

ClassDescription
indazoles
monocarboxylic acidAn oxoacid containing a single carboxy group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
SMAD family member 2Homo sapiens (human)Potency15.08900.173734.304761.8120AID1346859
SMAD family member 3Homo sapiens (human)Potency15.08900.173734.304761.8120AID1346859
AR proteinHomo sapiens (human)Potency17.89400.000221.22318,912.5098AID1259243; AID1259247; AID1259381; AID743036; AID743053
estrogen nuclear receptor alphaHomo sapiens (human)Potency2.68320.000229.305416,493.5996AID743075
GVesicular stomatitis virusPotency27.54040.01238.964839.8107AID1645842
Interferon betaHomo sapiens (human)Potency27.54040.00339.158239.8107AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency27.54040.01238.964839.8107AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency27.54040.01238.964839.8107AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency27.54040.01238.964839.8107AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (45)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
positive regulation of T cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
adaptive immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independentHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of T cell anergyHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
defense responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
detection of bacteriumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-12 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-6 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protection from natural killer cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
innate immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of dendritic cell differentiationHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class IbHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
inositol phosphate metabolic processInositol hexakisphosphate kinase 1Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
negative regulation of cold-induced thermogenesisInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (18)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signaling receptor bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
peptide antigen bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein-folding chaperone bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol heptakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
ATP bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 1-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 3-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (22)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
Golgi membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
endoplasmic reticulumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
Golgi apparatusHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
cell surfaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
ER to Golgi transport vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
secretory granule membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
phagocytic vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
early endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
recycling endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular exosomeHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
lumenal side of endoplasmic reticulum membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
MHC class I protein complexHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular spaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
external side of plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
fibrillar centerInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
cytosolInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleusInositol hexakisphosphate kinase 1Homo sapiens (human)
cytoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (60)

Assay IDTitleYearJournalArticle
AID1079933Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1079936Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID1079935Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
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
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1079941Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID473530Aqueous solubility of the compound2010Bioorganic & medicinal chemistry letters, Apr-01, Volume: 20, Issue:7
Synthesis and biological evaluations of novel bendazac lysine analogues as potent anticataract agents.
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1079931Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID625276FDA Liver Toxicity Knowledge Base Benchmark Dataset (LTKB-BD) drugs of most concern for DILI2011Drug discovery today, Aug, Volume: 16, Issue:15-16
FDA-approved drug labeling for the study of drug-induced liver injury.
AID1079945Animal toxicity known. [column 'TOXIC' in source]
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1079938Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID625293Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in LTKB-BD2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (53)

TimeframeStudies, This Drug (%)All Drugs %
pre-199021 (39.62)18.7374
1990's17 (32.08)18.2507
2000's0 (0.00)29.6817
2010's9 (16.98)24.3611
2020's6 (11.32)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (2.08%)5.53%
Trials0 (0.00%)5.53%
Reviews5 (10.42%)6.00%
Reviews0 (0.00%)6.00%
Case Studies6 (12.50%)4.05%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Observational0 (0.00%)0.25%
Other36 (75.00%)84.16%
Other9 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
acetic acid[no description available]medium10monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetamide[no description available]medium10acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
adenine[no description available]medium106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoin[no description available]medium10imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
quinacrine[no description available]medium10acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine[no description available]medium30amino-acid betaine;
glycine derivative		fundamental metabolite
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
citric acid, anhydrous[no description available]medium10tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
salicylic acid[no description available]medium20monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
bupropion[no description available]medium30aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium20amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
lactic acid[no description available]medium102-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
dimethyl sulfoxide[no description available]medium10sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine[no description available]medium10alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol[no description available]medium10alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
hydroquinone[no description available]medium10benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
inositol[no description available]medium10cyclitol;
hexol
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]medium30pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
phenol[no description available]medium20phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenylacetic acid[no description available]medium10benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
pyrazinamide[no description available]medium30monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxal phosphate[no description available]medium10methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine[no description available]medium20hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium20primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uracil[no description available]medium10pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
urea[no description available]medium10isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
catechin[no description available]medium10hydroxyflavan
menthol[no description available]medium10p-menthane monoterpenoid;
secondary alcohol		volatile oil component
phenytoin[no description available]medium30imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium20aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium40acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide[no description available]medium20monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
acetohydroxamic acid[no description available]medium20acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
albendazole[no description available]medium20aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol[no description available]medium30phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alfuzosin[no description available]medium20monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
amantadine[no description available]medium30adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxol[no description available]medium10aromatic amine
aminoglutethimide[no description available]medium10dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
pimagedine[no description available]medium10guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline[no description available]medium20dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium301-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium20carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine[no description available]medium20dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amobarbital[no description available]medium10barbiturates
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole[no description available]medium20nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anethole trithione[no description available]medium10methoxybenzenes
anthralin[no description available]medium10anthracenesantipsoriatic
aspirin[no description available]medium50benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium20ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium30aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium20amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
barbital[no description available]medium10barbituratesdrug allergen
benzbromarone[no description available]medium301-benzofurans;
aromatic ketone		uricosuric drug
bicalutamide[no description available]medium30(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisoprolol[no description available]medium30secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromisovalum[no description available]medium10N-acylurea;
organobromine compound
brotizolam[no description available]medium10organic molecular entity
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
buspirone[no description available]medium30azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium30methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butalbital[no description available]medium10barbituratesanalgesic;
sedative
caffeine[no description available]medium20purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil[no description available]medium30aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan cilexetil[no description available]medium10biphenyls
carbamazepine[no description available]medium30dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carisoprodol[no description available]medium20carbamate estermuscle relaxant
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxib[no description available]medium20organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium20ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chloral hydrate[no description available]medium10aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil[no description available]medium20aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide[no description available]medium20benzodiazepine
chlormezanone[no description available]medium301,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chloroquine[no description available]medium30aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpheniramine[no description available]medium20monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium30organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium30monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone[no description available]medium301,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cimetidine[no description available]medium30aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
ciprofloxacin[no description available]medium30aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride[no description available]medium10benzamides
citalopram[no description available]medium202-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clofibrate[no description available]medium30aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium20tertiary amineestrogen antagonist;
estrogen receptor modulator
clonidine[no description available]medium30clonidine;
imidazoline
clotiazepam[no description available]medium10organic molecular entity
clotrimazole[no description available]medium30conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cyclandelate[no description available]medium10carboxylic ester;
secondary alcohol		vasodilator agent
cyproheptadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsone[no description available]medium20substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferoxamine[no description available]medium30acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
amphetamine[no description available]medium20primary amine
eflornithine[no description available]medium10alpha-amino acid;
fluoroamino acid		trypanocidal drug
diazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
diclofenac[no description available]high30amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
ddt[no description available]medium10benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
diflunisal[no description available]medium20monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium30ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole[no description available]medium20piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]medium20monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium30organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium30branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxepin[no description available]medium20dibenzooxepine;
tertiary amino compound		antidepressant
droperidol[no description available]medium20aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
econazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
enflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		anaesthetic
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
estazolam[no description available]medium20triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
ethacrynic acid[no description available]medium30aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac[no description available]high30monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium202-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium30carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium20dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenofibrate[no description available]medium30aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium30conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium20aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumazenil[no description available]medium20ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flunitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium30(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen[no description available]high40fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium30(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
fomepizole[no description available]medium20pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
furosemide[no description available]medium30chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium30aromatic etherantilipemic drug
glafenine[no description available]medium30aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glutethimide[no description available]medium10piperidines
glyburide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
gossypol[no description available]medium10
guaiazulene[no description available]medium10sesquiterpene
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidol[no description available]medium30aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hexestrol[no description available]medium10stilbenoid
hexetidine[no description available]medium10organic heteromonocyclic compound;
organonitrogen heterocyclic compound
hexobarbital[no description available]medium10barbiturates
hydralazine[no description available]medium20azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium30one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium30hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]high30monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium20primary amine
lidocaine[no description available]medium20benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
alverine[no description available]medium10tertiary amineantispasmodic drug
idebenone[no description available]medium101,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
ifosfamide[no description available]medium30ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium30dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium20indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium30aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iohexol[no description available]medium10benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iodipamide[no description available]medium10benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
iproniazid[no description available]medium30carbohydrazide;
pyridines
avapro[no description available]medium20azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
isoniazid[no description available]medium30carbohydrazideantitubercular agent;
drug allergen
2-propanol[no description available]medium10secondary alcohol;
secondary fatty alcohol		protic solvent
isoproterenol[no description available]medium30catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoxsuprine[no description available]medium20alkylbenzene
isradipine[no description available]medium20benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium20piperazines
ketamine[no description available]medium30cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium10aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoconazole[no description available]medium30dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium20benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
labetalol[no description available]medium30benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine[no description available]medium201,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium20benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium30(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loperamide[no description available]medium20monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
losartan[no description available]medium20biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
malathion[no description available]medium10diester;
ethyl ester;
organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate[no description available]medium10isopropyl ester
mazindol[no description available]medium10organic molecular entity
mebendazole[no description available]medium30aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclizine[no description available]medium30diarylmethane
meclofenoxate[no description available]medium10monocarboxylic acid
mefenamic acid[no description available]medium20aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidine[no description available]medium20ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mephenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium20piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium20organic molecular entity
mesalamine[no description available]high20amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin[no description available]medium20guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium20benzenes;
diarylmethane;
ketone;
tertiary amino compound
methoxsalen[no description available]medium20aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxyflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium20beta-amino acid ester;
methyl ester;
piperidines
methyprylon[no description available]medium10organic molecular entity
metoclopramide[no description available]medium20benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium30aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium30C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium30aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
midazolam[no description available]medium20imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
minoxidil[no description available]medium30dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium20benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotane[no description available]medium20diarylmethane
mitoxantrone[no description available]medium20dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil[no description available]medium20monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium30monoterpenoid
deet[no description available]medium10benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
nabumetone[no description available]medium20methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid[no description available]medium201,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone[no description available]medium30aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium30cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium30organonitrogen compound;
organooxygen compound
niceritrol[no description available]medium10organic molecular entity
nifedipine[no description available]medium30C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nilutamide[no description available]medium20(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium30aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium202-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitroglycerin[no description available]medium20nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nizatidine[no description available]medium301,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
masoprocol[no description available]medium10catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium30organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
omeprazole[no description available]medium20aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium20carbazoles
orphenadrine[no description available]medium20ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxaprozin[no description available]high201,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxethazaine[no description available]medium10amino acid amide
oxprenolol[no description available]medium10aromatic ether
oxybenzone[no description available]medium10hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
oxyphenbutazone[no description available]medium10phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]medium30aminobenzoic acid;
phenols		antitubercular agent
pantoprazole[no description available]medium20aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pemoline[no description available]medium301,3-oxazolescentral nervous system stimulant
pentobarbital[no description available]medium20barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium20oxopurine
perazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium30barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium10phenols
phenoxybenzamine[no description available]medium30aromatic amine
phenylbutazone[no description available]medium20pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
pinacidil[no description available]medium10pyridines
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piperazine[no description available]medium10azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent		anthelminthic drug
praziquantel[no description available]medium20isoquinolines
prazosin[no description available]medium20aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium30aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium30pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium20benzamides;
hydrazines		antineoplastic agent
prochlorperazine[no description available]medium20N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promethazine[no description available]medium20phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propofol[no description available]medium20phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium30naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridinolcarbamate[no description available]medium10pyridines
pyrimethamine[no description available]medium20aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine[no description available]medium20aralkylamine
opc 12759[no description available]medium10secondary carboxamide
riluzole[no description available]medium20benzothiazoles
risperidone[no description available]medium201,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sevoflurane[no description available]medium10ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sibutramine[no description available]medium20organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
sulfadiazine[no description available]medium20pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sotalol[no description available]medium20ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
4-phenylbutyric acid, sodium salt[no description available]medium10organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
vorinostat[no description available]medium20dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfameter[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
leprostatic drug;
renal agent
sulfamethazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizole[no description available]medium20sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]medium20isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole[no description available]medium10primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine[no description available]medium10pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfasalazine[no description available]medium20
sulfinpyrazone[no description available]medium10pyrazolidines;
sulfoxide		uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium30alkylbenzene
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
suprofen[no description available]high10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacin[no description available]medium10N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur[no description available]medium10organohalogen compound;
pyrimidines
temazepam[no description available]medium20benzodiazepine
temozolomide[no description available]medium20imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline[no description available]medium20phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
terfenadine[no description available]medium10diarylmethane
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thalidomide[no description available]medium20phthalimides;
piperidones
thiabendazole[no description available]medium201,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thioridazine[no description available]medium20phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tiaprofenic acid[no description available]high10aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
ticlopidine[no description available]medium30monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tiopronin[no description available]medium20N-acyl-amino acid
tizanidine[no description available]medium20benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolazamide[no description available]medium20N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium30N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolperisone[no description available]medium10aromatic ketone
ultram[no description available]medium20aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium30amino acid
trazodone[no description available]medium30monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimethadione[no description available]medium20oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium30chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
venlafaxine[no description available]medium30cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vesnarinone[no description available]medium10organic molecular entity
vigabatrin[no description available]medium20gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219[no description available]medium30carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
guanidine hydrochloride[no description available]medium10one-carbon compound;
organic chloride salt		protein denaturant
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate[no description available]medium20corticosteroid hormone
mitomycin[no description available]medium30mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]medium3011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
estriol[no description available]medium1016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
reserpine[no description available]medium20alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
cephaloridine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
phentolamine[no description available]medium30imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium20glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
piperonyl butoxide[no description available]medium10benzodioxolespesticide synergist
bromouracil[no description available]medium10nucleobase analogue;
pyrimidines		mutagen
3,3',5-triiodothyroacetic acid[no description available]medium10
histamine dihydrochloride[no description available]medium10
thyroxine[no description available]medium202-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine[no description available]medium201-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
spironolactone[no description available]medium303-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cyclobarbital[no description available]medium10barbiturates
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium30non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
prednisone[no description available]medium2011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone[no description available]medium2017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
oxandrolone[no description available]medium3017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
dehydroepiandrosterone[no description available]medium1017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
nad[no description available]medium10NADgeroprotector
penicillin g[no description available]medium20penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine[no description available]medium20pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium302-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
chloramphenicol[no description available]medium20C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
glutamine[no description available]medium20amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
vincristine[no description available]medium20acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium20carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sucrose[no description available]medium10glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
testosterone propionate[no description available]medium10steroid ester
apomorphine[no description available]medium20aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrine[no description available]medium10pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
methyltestosterone[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium20benzoquinolizine;
cyclic ketone;
tertiary amino compound
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
uridine[no description available]medium10uridinesdrug metabolite;
fundamental metabolite;
human metabolite
kanamycin a[no description available]medium30kanamycinsbacterial metabolite
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
levodopa[no description available]medium10amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
carbaryl[no description available]medium10carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
lactose[no description available]medium10lactose
methionine[no description available]medium20aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
Mebutamate[no description available]medium10organic molecular entity
colchicine[no description available]medium30alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
norethindrone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
norethynodrel[no description available]medium10oxo steroid
benziodarone[no description available]medium30aromatic ketone
ampicillin[no description available]medium20beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium30mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]medium30beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
medroxyprogesterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
methaqualone[no description available]medium10quinazolinesGABA agonist;
sedative
trypan blue[no description available]medium10
cordycepin[no description available]medium103'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
tryptophan[no description available]medium10erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
arginine[no description available]medium20arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
trichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
allylpropymal[no description available]medium10barbiturates
butobarbital[no description available]medium10barbiturates
trichloroethylene[no description available]medium10chloroethenesinhalation anaesthetic;
mouse metabolite
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
methylprednisolone[no description available]medium306-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
isosorbide dinitrate[no description available]medium20glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
benzoyl peroxide[no description available]medium10carbonyl compound
furan[no description available]medium10furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
neostigmine bromide[no description available]medium10bromide salt
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
mephobarbital[no description available]medium10barbituratesanticonvulsant
hexachlorobenzene[no description available]medium10aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
trinitrotoluene[no description available]medium10trinitrotolueneexplosive
framycetin[no description available]medium20aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
pyrazolanthrone[no description available]medium10anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
meglumine[no description available]medium10hexosamine;
secondary amino compound
cinchophen[no description available]medium30quinolines
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
mequinol[no description available]medium10methoxybenzenes;
phenols		metabolite
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
dydrogesterone[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid		progestin
ephedrine[no description available]medium20phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
2,3-dimercaptosuccinic acid[no description available]medium10
evans blue[no description available]medium10organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
testosterone enanthate[no description available]medium10heptanoate ester;
sterol ester		androgen
aminophylline[no description available]medium20mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium20N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
phenyramidol[no description available]medium10aminopyridine
carbutamide[no description available]medium10benzenes;
sulfonamide
nandrolone decanoate[no description available]medium20steroid ester
bucladesine[no description available]medium103',5'-cyclic purine nucleotide;
butanamides;
butyrate ester		agonist;
cardiotonic drug;
vasodilator agent
betamethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
perflubron[no description available]medium10haloalkane;
organobromine compound;
perfluorinated compound		blood substitute;
radioopaque medium
cyproterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
dextropropoxyphene[no description available]medium201-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
chenodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dihydralazine[no description available]medium10phthalazines
phenylpropanolamine[no description available]medium10amphetamines;
phenethylamine alkaloid		plant metabolite
dihydroergotamine[no description available]medium30ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium20amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
gentian violet[no description available]medium10organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
hematoporphyrin[no description available]medium10
lactulose[no description available]medium30glycosylfructosegastrointestinal drug;
laxative
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium20acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin stearate[no description available]medium10aminoglycoside
erythromycin[no description available]medium30cyclic ketone;
erythromycin
vinblastine[no description available]medium10
estradiol valerate[no description available]medium10steroid ester
vancomycin[no description available]medium30glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol[no description available]medium20alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
dronabinol[no description available]medium20benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
amiloride[no description available]medium20aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium20benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
stavudine[no description available]medium30dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
iproclozide[no description available]medium10aromatic ether
streptomycin[no description available]medium30antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium20organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin disodium[no description available]medium10organic sodium salt
dehydroemetine[no description available]medium10aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
benorilate[no description available]medium10carbonyl compound
trimetazidine[no description available]medium10aromatic amine
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
tiadenol[no description available]medium10aliphatic sulfide
zalcitabine[no description available]medium20pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
stanozolol[no description available]medium1017beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen
clodronic acid[no description available]medium101,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
xipamide[no description available]medium10benzamides
selegiline[no description available]medium20selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pizotyline[no description available]medium10benzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
danazol[no description available]medium3017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
daunorubicin[no description available]medium20aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
carbimazole[no description available]medium101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
bromocriptine[no description available]medium20indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium2011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
oxyphenisatin[no description available]medium30indoles
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
ursodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
butachlor[no description available]medium10aromatic amide;
organochlorine compound;
tertiary carboxamide		environmental contaminant;
herbicide;
xenobiotic
rose bengal b disodium salt[no description available]medium10
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
cefazolin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium30penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium30timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
nicergoline[no description available]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
oxcarbazepine[no description available]medium20cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
amineptin[no description available]medium30amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium30azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pirprofen[no description available]medium30pyrroline
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]medium20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium20beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium30catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
ribavirin[no description available]medium301-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium20alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
ticrynafen[no description available]medium30aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa[no description available]medium30L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725[no description available]medium10
diltiazem[no description available]medium205-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
benoxaprofen[no description available]high301,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
permethrin[no description available]medium10cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
pirfenidone[no description available]medium10pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
desogestrel[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
muzolimine[no description available]medium10dichlorobenzene
epirubicin[no description available]medium20aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
piperacillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium30aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium30alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium20cephalosporinantibacterial drug
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
moxalactam[no description available]medium10cephalosporin;
oxacephem		antibacterial drug
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
cefadroxil anhydrous[no description available]medium20cephalosporinantibacterial drug
encainide[no description available]medium10benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
cefaclor anhydrous[no description available]medium20cephalosporinantibacterial drug;
drug allergen
miglustat[no description available]medium20piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan[no description available]medium20
lovastatin[no description available]medium30delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
enoximone[no description available]medium10aromatic ketone
piritrexim[no description available]medium10
simvastatin[no description available]medium30delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
pravastatin[no description available]medium303-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
quinapril[no description available]medium20dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
gepirone[no description available]medium10N-arylpiperazine
mifepristone[no description available]medium203-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
sparfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
zileuton[no description available]medium301-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
clopidogrel[no description available]medium20methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
cidofovir anhydrous[no description available]medium20phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
bromfenac[no description available]medium30aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
atorvastatin[no description available]medium20aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium30monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
duloxetine[no description available]medium20duloxetine
irinotecan[no description available]medium20carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
capecitabine[no description available]medium20carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
adenosine[no description available]medium20adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
halofuginone[no description available]medium10quinazolines
ortho-cept[no description available]medium10
cefprozil[no description available]medium20cephalosporin;
semisynthetic derivative		antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol[no description available]medium10stilbenoid
efavirenz[no description available]medium20acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium20aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
doxapram hydrochloride[no description available]medium10hydrochloridecentral nervous system stimulant
1,5-anhydroglucitol[no description available]medium10anhydro sugarhuman metabolite
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
amprenavir[no description available]medium20carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
glutathione disulfide[no description available]medium10glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
bendamustine[no description available]medium20benzimidazoles
erdosteine[no description available]medium10N-acyl-amino acid
mizolastine[no description available]medium10benzimidazoles
intoplicine[no description available]medium10pyridoindole
telmisartan[no description available]medium20benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
medetomidine[no description available]medium10imidazoles
sertraline[no description available]medium30dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
picosulfate sodium[no description available]medium10aryl sulfate;
pyridines
dienogest[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone		progesterone receptor agonist;
progestin;
synthetic oral contraceptive
morphazinamide[no description available]medium10morpholines;
pyrazines;
secondary carboxamide
dexrazoxane[no description available]medium20razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
voriconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
cyclobutyrol[no description available]medium10hydroxy monocarboxylic acidbile therapy drug
terlipressin[no description available]medium10polypeptide
isoflavone[no description available]medium10isoflavones
clevudine[no description available]medium10
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
rosiglitazone[no description available]medium20aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
clarithromycin[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium103-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium30primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
selenomethionine[no description available]medium10amino acid zwitterion;
selenomethionine		plant metabolite
perindopril[no description available]medium20alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod[no description available]medium10aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
ecteinascidin 743[no description available]medium10acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
nitisinone[no description available]medium20(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
clofarabine[no description available]medium20adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
mitiglinide[no description available]medium10benzenes;
monocarboxylic acid
imatinib mesylate[no description available]medium10methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
gefitinib[no description available]medium20aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine[no description available]medium10adenosines;
monocarboxylic acid amide;
organoiodine compound		adenosine A3 receptor agonist
methotrexate[no description available]medium30dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
antiprimod[no description available]medium10
sulbactam[no description available]medium10penicillanic acids
olmesartan medoxomil[no description available]medium20biphenyls
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
docetaxel[no description available]medium20hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
atazanavir[no description available]medium20carbohydrazideantiviral drug;
HIV protease inhibitor
levofloxacin[no description available]medium209-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ezetimibe[no description available]medium20azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cariporide[no description available]medium10
tezosentan[no description available]medium10
moxifloxacin[no description available]medium20aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
jtt 501[no description available]medium10
naproxen[no description available]high30methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin[no description available]medium30amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
avasimibe[no description available]medium10monoterpenoid
biotin[no description available]medium10biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
atropine[no description available]medium30
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
deferasirox[no description available]medium30benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium20benzodioxoles
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
benzarone[no description available]medium301-benzofurans
estramustine[no description available]medium2017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol[no description available]medium10carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
bortezomib[no description available]medium20amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium301,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
nexavar[no description available]medium10organosulfonate salt
glucosamine[no description available]medium10D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
quinidine[no description available]medium20cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium20alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium301-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir[no description available]medium30L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
netilmicin[no description available]medium10
trimethaphan camsylate[no description available]medium10
erythromycin estolate[no description available]medium10aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
tolterodine[no description available]medium20tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochloride[no description available]medium10anthracycline
erythromycin ethylsuccinate[no description available]medium10cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
ao 128[no description available]medium10organic molecular entity
acarbose[no description available]medium20amino cyclitol;
glycoside
tretinoin[no description available]medium20retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
retinol[no description available]medium20retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate[no description available]medium10D-fructofuranose 1,6-bisphosphate
docosahexaenoate[no description available]medium10docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
oleic acid[no description available]medium10octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
tacrolimus[no description available]medium30macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium10dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium20dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
eicosapentaenoic acid[no description available]medium10icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
mycophenolic acid[no description available]medium202-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
clindamycin[no description available]medium20
fosfomycin[no description available]medium20epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
drf 2725[no description available]medium10
diethylstilbestrol[no description available]medium10olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
decitabine[no description available]medium202'-deoxyribonucleoside
teniposide[no description available]medium20aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin[no description available]medium20actinomycinmutagen
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
tenofovir[no description available]medium30nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
rubitecan[no description available]medium10C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
micafungin[no description available]medium20antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium20flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium20one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
sodium acetate, anhydrous[no description available]medium10organic sodium saltNMR chemical shift reference compound
sodium benzoate[no description available]medium10organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
ditiocarb sodium[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium10
discodermolide[no description available]medium10diterpenoid
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
propylthiouracil[no description available]medium30pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
prothionamide[no description available]medium10pyridines
etomidate[no description available]medium20ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium30aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
methimazole[no description available]medium301,3-dihydroimidazole-2-thionesantithyroid drug
sulindac[no description available]high30monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
terbinafine[no description available]medium30acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium302-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
tacrine hydrochloride[no description available]medium10
sodium propionate[no description available]medium10organic sodium saltantifungal drug;
food preservative
digoxin[no description available]medium30cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin[no description available]medium30
tamoxifen[no description available]medium30stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium20pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
fusidic acid[no description available]medium1011alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
estrone sulfate[no description available]medium1017-oxo steroid;
steroid sulfate		human metabolite;
mouse metabolite
hmr 3647[no description available]medium20
toremifene[no description available]medium30aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
droloxifene[no description available]medium10stilbenoid
or 1259[no description available]medium10hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
gestodene[no description available]medium10steroidestrogen
orlistat[no description available]medium30beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene[no description available]medium10stilbenoid
zd 6474[no description available]medium10aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
silybin[no description available]medium10
chloramine-t[no description available]medium10organic sodium saltallergen;
antifouling biocide;
disinfectant
flosequinan[no description available]medium10quinolines
tolcapone[no description available]medium302-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
calcitriol[no description available]medium20D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
beta carotene[no description available]medium10carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
cholecalciferol[no description available]medium10D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
amphotericin b[no description available]medium20antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
oxymetholone[no description available]medium30
montelukast[no description available]medium30aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mycophenolate mofetil[no description available]medium20carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium202-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine[no description available]medium10carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
cynarine[no description available]medium10alkyl caffeate ester;
quinic acid		plant metabolite
sdz psc 833[no description available]medium10homodetic cyclic peptide
coenzyme q10[no description available]medium10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
tranilast[no description available]medium10amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
isotretinoin[no description available]medium30retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
misoprostol[no description available]medium10
ozagrel[no description available]medium10cinnamic acids
pitavastatin[no description available]medium20cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
alatrofloxacin mesylate[no description available]medium20
codeine[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium30homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium30acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
dothiepin[no description available]medium10dothiepin
levetiracetam[no description available]medium20pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
nalorphine[no description available]medium10morphinane alkaloid
naloxone[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxymorphone[no description available]medium20morphinane alkaloid
sirolimus[no description available]medium20antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramate[no description available]medium20cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
alvocidib[no description available]medium10dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol[no description available]medium10
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
geldanamycin[no description available]medium101,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
morphine[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
demycarosylturimycin h[no description available]medium10
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
vinorelbine[no description available]medium20acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
furazolidone[no description available]medium10
fluvoxamine[no description available]medium20(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
semaxinib[no description available]medium10olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantinib[no description available]medium10
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium20dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
naltrexone[no description available]medium30cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium206-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium20dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril[no description available]medium20azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
indinavir sulfate[no description available]medium30dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalapril[no description available]medium30dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium10
bleomycin[no description available]medium20bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium20dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
sulindac sulfone[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran[no description available]medium30amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ceftriaxone[no description available]medium201,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril[no description available]medium20dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
famotidine[no description available]medium301,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium201,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium20beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
epoprostenol sodium[no description available]medium10prostanoid
ixabepilone[no description available]medium201,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
dantrolene sodium[no description available]medium10
nitrofurantoin[no description available]medium30imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
beraprost[no description available]medium10enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
lanreotide[no description available]medium10
lu 208075[no description available]medium30diarylmethane
acetylcarnitine[no description available]medium10O-acetylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite;
Saccharomyces cerevisiae metabolite
nifurtoinol[no description available]medium10hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
fosinopril[no description available]medium20
eflucimibe[no description available]medium10
etomoxir[no description available]medium10aromatic ether
pentagastrin[no description available]medium20organic molecular entity
gentamicin sulfate[no description available]medium10
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
baci-im[no description available]medium30homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
pf 03491390[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
tannins[no description available]medium10tannin
mesna[no description available]medium20organosulfonic acid
cerivastatin sodium[no description available]medium10organic sodium salt;
statin (synthetic)
monensin[no description available]medium10
oxacillin sodium[no description available]medium10organic sodium salt
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
ascorbic acid[no description available]medium20ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium30
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium30
minocycline[no description available]medium30
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
piroxicam[no description available]medium30benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
acenocoumarol[no description available]medium10C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium201,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium30benzenes;
hydroxycoumarin;
methyl ketone
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline[no description available]medium10
lornoxicam[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ajmaline[no description available]medium10
entecavir[no description available]medium202-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium302-aminopurines;
oxopurine		antimetabolite;
antiviral drug
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
folic acid[no description available]medium30folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin[no description available]medium30cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium30benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
dacarbazine[no description available]medium30dacarbazine
didanosine[no description available]medium30purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium302-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
sildenafil[no description available]medium20piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium20benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
oxypurinol[no description available]medium10pyrazolopyrimidinedrug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed[no description available]medium10N-acyl-amino acid
allopurinol[no description available]medium30nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
leucovorin[no description available]medium20formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
alanosine[no description available]medium10
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
rifabutin[no description available]medium20
bendazac lysine[no description available]medium30
ethanolamine[no description available]medium10ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
tacrine[no description available]medium10acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
alaproclate[no description available]medium20alpha-amino acid ester
alendronate[no description available]medium201,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
altretamine[no description available]medium20triamino-1,3,5-triazine
amifostine anhydrous[no description available]medium20diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
bethanechol[no description available]medium20carbamate ester;
quaternary ammonium ion		muscarinic agonist
biperiden[no description available]medium20piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
carbinoxamine[no description available]medium20monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
cyclofenil[no description available]medium20organic molecular entity
desipramine[no description available]medium20dibenzoazepine;
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
etidronate[no description available]medium201,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
fenoprofen[no description available]high20monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fipexide[no description available]medium20benzodioxoles
flavoxate[no description available]medium20carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
glimepiride[no description available]medium20sulfonamide
guanethidine[no description available]medium20azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
isocarboxazid[no description available]medium20benzenes
ketorolac[no description available]high20amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
maprotiline[no description available]medium20anthracenes
metaproterenol[no description available]medium20aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
mexiletine[no description available]medium20aromatic ether;
primary amino compound		anti-arrhythmia drug
nomifensine[no description available]medium20isoquinolinesdopamine uptake inhibitor
oxybutynin[no description available]medium20acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
perhexiline[no description available]medium20piperidinescardiovascular drug
phentermine[no description available]medium20primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pioglitazone[no description available]medium20aromatic 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
procyclidine[no description available]medium20pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
succinylcholine[no description available]medium20quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
sulfathiazole[no description available]medium201,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
trifluoperazine[no description available]medium20N-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
mepazine[no description available]medium20phenothiazines
mebanazine[no description available]medium20benzenes
benzonatate[no description available]medium20benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
edrophonium bromide[no description available]medium10
levocarnitine[no description available]medium20carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
sulfanilylurea[no description available]medium20benzenes;
sulfonamide
isosorbide[no description available]medium10organic molecular entity
ethambutol[no description available]medium20ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
ibufenac[no description available]high20monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
clomacran[no description available]medium20acridines
clemastine[no description available]medium20monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
cromolyn sodium[no description available]medium10organic sodium saltanti-asthmatic drug;
drug allergen
fenclozic acid[no description available]medium20
laxagetten 4,4'-diacetoxydiphenylpyridylemethane[no description available]medium20
alclofenac[no description available]high20aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
clometacin[no description available]medium20N-acylindole
penbutolol[no description available]medium20ethanolamines
carbidopa[no description available]medium10catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
exifone[no description available]medium20benzophenones
atracurium[no description available]medium20diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
fialuridine[no description available]medium20
tolrestat[no description available]medium20naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
alpidem[no description available]medium20imidazoles
esmolol[no description available]medium20aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
tasosartan[no description available]medium20biphenyls
trovafloxacin[no description available]medium20
oseltamivir[no description available]medium20acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
tilbroquinol[no description available]medium20organohalogen compound;
quinolines
droxicam[no description available]medium20organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
ebrotidine[no description available]medium20sulfonamide
isaxonine[no description available]medium20aminopyrimidine
fenoxypropazine[no description available]medium20aromatic ether
nitrefazole[no description available]medium20imidazoles
tamsulosin[no description available]medium205-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
cox 189[no description available]high20amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
pralnacasan[no description available]medium20
fiduxosin[no description available]medium20
lapatinib[no description available]medium20furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
abacavir[no description available]medium202,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
metyrosine[no description available]medium20L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
benztropine[no description available]medium20diarylmethane
aplaviroc[no description available]medium20
maraviroc[no description available]medium20tropane alkaloid
alatrofloxacin[no description available]medium10
vitamin d 2[no description available]medium20hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
benzphetamine[no description available]medium20amphetamines;
tertiary amine		adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
su 11248[no description available]medium20monocarboxylic 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
zimeldine[no description available]medium20styrenes
pafuramidine[no description available]medium20
1-methyl-d-lysergic acid butanolamide[no description available]medium20ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
dantrolene[no description available]medium20
bibx 1382bs[no description available]medium20substituted aniline
chlorhexidine[no description available]medium10biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent
pazopanib[no description available]medium20aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
nystatin a1[no description available]medium20nystatins
tipranavir[no description available]medium20sulfonamideantiviral drug;
HIV protease inhibitor
amg531[no description available]medium10
alosetron[no description available]medium10imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist
alprazolam[no description available]medium10organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
ambenonium[no description available]medium10quaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisacodyl[no description available]medium10diarylmethane
secbutabarbital[no description available]medium10barbiturates
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
chlorcyclizine[no description available]medium10diarylmethane
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
cilostazol[no description available]medium10lactam;
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
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
cyclobenzaprine[no description available]medium10carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
dimercaprol[no description available]medium10dithiol;
primary alcohol		chelator
donepezil[no description available]medium10aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxapram[no description available]medium10morpholines;
pyrrolidin-2-ones		central nervous system stimulant
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
doxylamine[no description available]medium10pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
edrophonium[no description available]medium10phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fexofenadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
flurazepam[no description available]medium101,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
foscarnet[no description available]medium10carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]medium10benzenes
granisetron[no description available]medium10aromatic amide;
indazoles
guaifenesin[no description available]medium10methoxybenzenes
guanfacine[no description available]medium10acetamides
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
ioversol[no description available]medium10amidobenzoic acid
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomefloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
lorazepam[no description available]medium10benzodiazepine
loxapine[no description available]medium10dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
mecamylamine[no description available]medium10primary aliphatic amine
mechlorethamine[no description available]medium10nitrogen mustard;
organochlorine compound		alkylating agent
meclofenamic acid[no description available]medium10aminobenzoic 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
memantine[no description available]medium10adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
mepenzolate[no description available]medium10diarylmethane
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
methyclothiazide[no description available]medium10benzothiadiazine
metolazone[no description available]medium10organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
midodrine[no description available]medium10amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
nadolol[no description available]medium10tetralins
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
ofloxacin[no description available]medium103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
pamidronate[no description available]medium10phosphonoacetic acid
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pentamidine[no description available]medium10aromatic 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
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
polythiazide[no description available]medium10benzothiadiazine
duodote[no description available]medium10pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
propafenone[no description available]medium10aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propantheline[no description available]medium10xanthenes
protriptyline[no description available]medium10carbotricyclic compoundantidepressant
pyridostigmine[no description available]medium10pyridinium ion
sch 16134[no description available]medium10benzodiazepine
quetiapine[no description available]medium10dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
raloxifene[no description available]medium101-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
rimantadine[no description available]medium10alkylamine
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
salicylsalicylic acid[no description available]medium10benzoate 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
secobarbital[no description available]medium10barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
risedronic acid[no description available]medium10pyridines
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sumatriptan[no description available]medium10sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
thiotepa[no description available]medium10aziridines
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tolmetin[no description available]high10aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
triazolam[no description available]medium10triazolobenzodiazepinesedative
trihexyphenidyl[no description available]medium10amine
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
zaleplon[no description available]medium10nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
cysteine[no description available]medium10cysteine 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
edetic acid[no description available]medium10ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
cysteamine[no description available]medium10amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
acetylcholine chloride[no description available]medium10quaternary ammonium salt
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
calcium acetate[no description available]medium10calcium saltchelator
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
perflutren[no description available]medium10fluoroalkane;
fluorocarbon
fluoxymesterone[no description available]medium1011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
methsuximide[no description available]medium10organic molecular entity
tromethamine[no description available]medium20primary amino compound;
triol		buffer
brompheniramine[no description available]medium10organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
penicillin v[no description available]medium10penicillin allergen;
penicillin
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
diethylpropion[no description available]medium10aromatic ketone;
tertiary amine		appetite depressant
methylergonovine[no description available]medium10ergoline alkaloid
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
galantamine[no description available]medium10benzazepine 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
4-hydroxybutyric acid[no description available]medium104-hydroxy monocarboxylic acid;
hydroxybutyric acid		general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
medroxyprogesterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
dimenhydrinate[no description available]medium10diarylmethane
pamabrom[no description available]medium10
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
diphenoxylate[no description available]medium10ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
metaxalone[no description available]medium10aromatic ether
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
dexbrompheniramine[no description available]medium10brompheniramineanti-allergic agent;
H1-receptor antagonist
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
megestrol[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methenamine hippurate[no description available]medium10N-acylglycine
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
sodium thiosulfate[no description available]medium10inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
fludrocortisone[no description available]medium1011beta-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
dexchlorpheniramine[no description available]medium10chlorphenamine
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
moricizine[no description available]medium10carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
vecuronium[no description available]medium10acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
mefloquine[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
sufentanil[no description available]medium10anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
pergolide[no description available]medium10diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
haloperidol decanoate[no description available]medium10organic molecular entity
balsalazide[no description available]medium10
cabergoline[no description available]medium10N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
atomoxetine[no description available]medium10aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
fosphenytoin[no description available]medium10imidazolidine-2,4-dione
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
finasteride[no description available]medium103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
aromasil[no description available]medium1017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine[no description available]medium10organofluorine 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
ibutilide[no description available]medium10benzenes;
organic amino compound
aripiprazole[no description available]medium10aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
remifentanil[no description available]medium10alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
ibandronic acid[no description available]medium10
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
tiludronic acid[no description available]medium10organochlorine compound
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
fenofibric acid[no description available]medium10aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
plerixafor[no description available]medium10azacycloalkane;
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
histamine phosphate[no description available]medium10phosphate salthistamine agonist
repaglinide[no description available]medium10piperidines
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
acamprosate[no description available]medium10acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]medium101,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
aceclofenac[no description available]high10amino 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
doripenem[no description available]medium10carbapenems
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
rivastigmine[no description available]medium10carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
frovatriptan[no description available]medium10carbazoles
eletriptan[no description available]medium10indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
moexipril[no description available]medium10peptide
mci 9038[no description available]medium10peptide
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
paliperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
valdecoxib[no description available]medium10isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
desvenlafaxine[no description available]medium10cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
rufinamide[no description available]medium10aromatic amide;
heteroarene
dexpanthenol[no description available]medium10amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin
fosamprenavir[no description available]medium10sulfonamideprodrug
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
escitalopram[no description available]medium101-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
10-propargyl-10-deazaaminopterin[no description available]medium10N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
conivaptan[no description available]medium10benzazepineaquaretic;
vasopressin receptor antagonist
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium10isoquinolines
dexmethylphenidate[no description available]medium10methyl phenyl(piperidin-2-yl)acetateadrenergic agent
cinacalcet[no description available]medium10(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
lubiprostone[no description available]medium10
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
varenicline[no description available]medium10
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
dronedarone[no description available]medium101-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
ramelteon[no description available]medium10indanes
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
sorafenib[no description available]medium10(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
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
regadenoson[no description available]medium10purine nucleoside
lacosamide[no description available]medium10N-acyl-amino acid
vincaleukoblastine[no description available]medium10acetate 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
oxytocin[no description available]medium10heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
pancuronium[no description available]medium10acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
miglitol[no description available]medium10piperidines
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
clindamycin phosphate[no description available]medium10
eplerenone[no description available]medium103-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
octreotide[no description available]medium10
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
arsenic trioxide[no description available]medium10arsenic oxideantineoplastic agent;
insecticide
sr 90107[no description available]medium10
meglumine iodipamide[no description available]medium10organoammonium saltradioopaque medium
thyrotropin-releasing hormone[no description available]medium10peptide hormone;
tripeptide		human metabolite
arginine vasopressin[no description available]medium10vasopressincardiovascular drug;
hematologic agent;
mitogen
s 1033[no description available]medium10(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
pyrantel[no description available]medium101,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes		antinematodal drug
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
succimer[no description available]medium10dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
cancidas[no description available]medium10
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
ranitidine[no description available]medium10C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
dolasetron[no description available]medium10indolyl carboxylic acid
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
fospropofol[no description available]medium10alkylbenzene
rasagiline[no description available]medium10indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
dasatinib[no description available]medium101,3-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
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
mivacurium[no description available]medium10isoquinolines
hemabate[no description available]medium10
paricalcitol[no description available]medium10hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
ethamolin[no description available]medium10long-chain fatty acid
estropipate[no description available]medium10piperazinium salt;
steroid sulfate
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
ly 163892[no description available]medium10carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nabilone[no description available]medium10
oxycodone[no description available]medium10organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
trospium chloride[no description available]medium10
deamino arginine vasopressin[no description available]medium10heterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
goserelin[no description available]medium10organic molecular entity
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide[no description available]medium10phenylalanine derivative
silodosin[no description available]medium10indolecarboxamide
levorphanol[no description available]medium10morphinane alkaloid
butorphanol[no description available]medium10morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
benazepril[no description available]medium10benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
verteporfin[no description available]medium10
trientine hydrochloride[no description available]medium10
n-methylscopolamine bromide[no description available]medium10
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
aliskiren[no description available]medium10monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent
cefpodoxime[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
rifaximin[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
everolimus[no description available]medium10cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
etonogestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin
temsirolimus[no description available]medium10macrolide lactam
dutasteride[no description available]medium10(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
fesoterodine[no description available]medium10diarylmethane
gemifloxacin[no description available]medium101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
armodafinil[no description available]medium102-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
sincalide[no description available]medium10oligopeptide
tapentadol[no description available]medium10alkylbenzene
cefditoren[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
prasugrel hydrochloride[no description available]medium10
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
milnacipran[no description available]medium10acetamides
scopolamine hydrobromide[no description available]medium10
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide[no description available]medium10
ganirelix[no description available]medium10polypeptide
teriparatide[no description available]medium10polypeptide
salmon calcitonin[no description available]medium10heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide[no description available]medium10polypeptide
exenatide[no description available]medium10
sodium lactate[no description available]medium10lactate salt;
organic sodium salt		food acidity regulator;
food preservative
sodium iothalamate[no description available]medium10
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
raltegravir[no description available]medium101,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide		antiviral drug;
HIV-1 integrase inhibitor
demeclocycline[no description available]medium10
tigecycline[no description available]medium10
fertinex[no description available]medium10
valacyclovir[no description available]medium10L-valyl esterantiviral drug
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
citrovorum factor[no description available]medium10tetrahydrofolic acid
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
bl 4162a[no description available]medium10imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
pemetrexed[no description available]medium10N-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
valganciclovir[no description available]medium10L-valyl ester;
purines		antiviral drug;
prodrug
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
levomefolate calcium[no description available]medium10organic calcium saltantidepressant
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
quercetin[no description available]medium107-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
indazoles[no description available]medium421indazole
carnosine[no description available]medium10amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
n-acetylcarnosine[no description available]medium10dipeptidemetabolite
calpain[no description available]medium10
methylcellulose[no description available]medium10
benzydamine[no description available]high40aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
D-fructopyranose[no description available]medium10cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
muramidase[no description available]medium10
bindarit[no description available]medium10
sch 22219[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester		anti-inflammatory drug
dapiprazole[no description available]medium10N-alkylpiperazine;
N-arylpiperazine;
pyridines		alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
salicylates[no description available]medium10monohydroxybenzoateplant metabolite
triazoles[no description available]medium101,2,3-triazole
5-hydroxybendazac[no description available]medium60
nadp[no description available]medium10
ampyrone[no description available]medium10primary amino compound;
pyrazolone		antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
1,1-diphenyl-2-picrylhydrazyl[no description available]medium10
hydrazine[no description available]medium10azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
fibrinogen[no description available]medium10iditolfungal metabolite
galactose[no description available]medium10D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
sorbinil[no description available]medium10azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor
deoxyribose[no description available]medium10deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
imidazolidines[no description available]medium10azacycloalkane;
imidazolidines;
saturated organic heteromonocyclic parent
potassium cyanate[no description available]medium10cyanate salt;
one-carbon compound		herbicide
cyanates[no description available]medium10
cortisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
melatonin[no description available]low00acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
taurine[no description available]low00amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
ebselen[no description available]low00benzoselenazoleanti-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
edaravone[no description available]low00pyrazoloneantioxidant;
radical scavenger
potassium iodide[no description available]low00potassium saltexpectorant;
radical scavenger
anthrone[no description available]low00anthracenoneradical scavenger
phenothiazine[no description available]low00phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
deanol[no description available]low00ethanolamines;
tertiary amine		curing agent;
radical scavenger
2-naphthol[no description available]low00naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
diphenylamine[no description available]low00aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]medium00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
gallocatechol[no description available]low00gallocatechinantioxidant;
metabolite;
radical scavenger
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]low00gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
pyrrolidine dithiocarbamate[no description available]low00dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
phenoxazine[no description available]low00phenoxazineferroptosis inhibitor;
radical scavenger
sigmoidin a[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger
proxyl nitroxide[no description available]low00aminoxyls;
pyrrolidines		radical scavenger
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
homoorientin[no description available]low00flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
astilbin[no description available]low003'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone		anti-inflammatory agent;
plant metabolite;
radical scavenger
ovothiol c[no description available]low00aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative		antioxidant;
marine metabolite;
radical scavenger
ovothiol a[no description available]low00aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative;
non-proteinogenic L-alpha-amino acid		antioxidant;
marine metabolite;
radical scavenger
6,6'-bieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger
tempol[no description available]low00aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
matteucinol[no description available]low004'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite;
radical scavenger
2',6'-dihydroxy-4'-methoxydihydrochalcone[no description available]low00dihydrochalcones;
monomethoxybenzene;
polyphenol		antiplasmodial drug;
radical scavenger
rosiglitazone[no description available]low00acetate ester;
coumarins;
diester		pro-angiogenic agent;
radical scavenger
silychristin[no description available]low001-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
resveratrol[no description available]low00resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
tempace[no description available]low00aminoxyls;
piperidinecarboxamide;
secondary carboxamide		radiation protective agent;
radical scavenger
triacetoneamine-n-oxyl[no description available]low00aminoxyls;
piperidones		radical scavenger
propolin c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
curcumin[no description available]low00aromatic 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
tempo[no description available]low00aminoxyls;
piperidines		catalyst;
ferroptosis inhibitor;
radical scavenger
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl[no description available]low00aminoxyls;
dicarboximide;
maleimides;
piperidines		radical scavenger;
spin label
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide[no description available]low00aminoxyls;
organoiodine compound;
piperidinecarboxamide;
secondary carboxamide		radical scavenger;
spin label
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole[no description available]low00benzoic acid;
imidazolines;
organic radical		apoptosis inhibitor;
radical scavenger
dieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
tempo carboxylic acid[no description available]low00aminoxyls;
piperidinemonocarboxylic acid		MRI contrast agent;
radical scavenger;
spin label
ladanein[no description available]low00dihydroxyflavone;
dimethoxyflavone		antiviral agent;
plant metabolite;
radical scavenger
ferrostatin-1[no description available]low00ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
luteolin[no description available]low003'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
oleuropein[no description available]low00beta-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
baicalein[no description available]low00trihydroxyflavoneangiogenesis 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
cupressuflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger
demethylbellidifolin[no description available]low00tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger
pterostilbene[no description available]low00diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
orobol[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger
kaempferol-3-o-rutinoside[no description available]low00disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
methyl brevifolincarboxylate[no description available]low00cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent
ginsenoside rb1[no description available]low00ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
kaempferol 7-o-glucoside[no description available]low00beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
nymphaeol c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
nigerloxin[no description available]low00aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger
eckstolonol[no description available]low00organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger
eriodictyol 7-O-beta-D-glucopyranoside[no description available]low00beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde[no description available]low001-benzofurans;
aldehyde;
phenols		Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger
liproxstatin-1[no description available]low00azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger
enprofylline[no description available]low00oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
acemetacin[no description available]medium00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
alminoprofen[no description available]medium00amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
amfenac[no description available]low00amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
amlexanox[no description available]medium00monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
ampiroxicam[no description available]low00acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide		analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
antipyrine[no description available]low00pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetovanillone[no description available]low00acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bufexamac[no description available]low00aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-biphenylylacetic acid[no description available]medium00biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenbufen[no description available]low004-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
indoprofen[no description available]medium00gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
propyphenazone[no description available]low00pyrazolonenon-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
kebuzone[no description available]low00methyl ketone;
pyrazolidines		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
loxoprofen[no description available]medium00cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
metiazinic acid[no description available]low00phenothiazinesdrug allergen;
non-steroidal anti-inflammatory drug
proglumetacin[no description available]low00aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
suxibuzone[no description available]medium00hemisuccinate;
monocarboxylic acid;
pyrazolidines		antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug
zomepirac[no description available]medium00aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
noramidopyrine[no description available]low00pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug
2-methoxybenzoic acid[no description available]low00methoxybenzoic acidflavouring agent;
non-steroidal anti-inflammatory drug
mofebutazone[no description available]low00pyrazolidinesnon-narcotic analgesic;
non-steroidal anti-inflammatory drug
acetosyringone[no description available]low00acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bumadizone[no description available]medium00carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug
apazone[no description available]low00benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
clonixin[no description available]low00aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
oxamethacin[no description available]low00aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flunixin[no description available]low00aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flunixin meglumine[no description available]low00organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dexibuprofen[no description available]low00ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
fendosal[no description available]low00benzoindole;
monohydroxybenzoic acid;
pyrroles		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
nedocromil[no description available]low00dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
tepoxalin[no description available]low00aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
adapalene[no description available]medium00adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
fenoprofen calcium[no description available]low00hydrateantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
baicalin[no description available]low00dihydroxyflavone;
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
ibuproxam[no description available]low00hydroxamic acidiron chelator;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lonazolac[no description available]medium00monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
miroprofen[no description available]medium00imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
flunoxaprofen[no description available]medium001,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
corilagin[no description available]low00ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug
difenpiramide[no description available]low00biphenyls;
monocarboxylic acid amide;
pyridines		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
nitroflurbiprofen[no description available]low00biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent
parecoxib[no description available]low00isoxazoles;
N-sulfonylcarboxamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
mk 0663[no description available]low00bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
garenoxacin[no description available]low00aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug
nepafenac[no description available]low00monocarboxylic acid amidecyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
firocoxib[no description available]low00butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cimicoxib[no description available]low00aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicin[no description available]low00aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
tolfenamic acid[no description available]low00aminobenzoic acid;
organochlorine compound;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dexketoprofen[no description available]medium00benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
naproxol[no description available]low00aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
deracoxib[no description available]low00organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
lysine clonixinate[no description available]low00organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
rosmarinic acid[no description available]medium00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
sulindac sulfide[no description available]medium00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
bay 11-7082[no description available]low00nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
robenacoxib[no description available]medium00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
parthenolide[no description available]low00sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide[no description available]low00organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate[no description available]low00carboxylic ester;
methoxynaphthalene;
nitrate ester		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
apremilast[no description available]low00aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
sodium bromfenac[no description available]low00hydratenon-narcotic analgesic;
non-steroidal anti-inflammatory drug
tofisopam[no description available]low00organic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
meclofenamate sodium anhydrous[no description available]low00hydrateanalgesic;
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
tolmetin sodium[no description available]low00hydrate;
organic sodium salt		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
naproxen sodium[no description available]low00organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
an2728[no description available]low00aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid[no description available]low00organofluorine compoundnon-steroidal anti-inflammatory drug
isoxicam[no description available]low00benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
teriflunomide[no description available]low00(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor
ly 278584[no description available]low00aromatic amide;
indazoles
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]low00aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
1H-indazol-3-amine[no description available]low00indazoles
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
benzydamine hydrochloride[no description available]low00indazoles
6-aminoindazole[no description available]low00indazoles
1-p-chlorobenzyl-1h-indazole-3-carboxylic acid[no description available]low00indazoles
4-chloro-1H-indazol-3-amine[no description available]low00indazoles
1H-indazole-3-carboxylic acid methyl ester[no description available]low00indazoles
N-(1H-indazol-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide[no description available]low00indazoles
1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester[no description available]low00indazoles
granisetron[no description available]low00aromatic amide;
indazoles
axitinib[no description available]low00aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
granisetron hydrochloride[no description available]low00aromatic amide;
indazoles
gamendazole[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
dichlorobenzene;
indazoles;
olefinic compound;
organofluorine compound		antispermatogenic agent;
eukaryotic translation elongation factor 1alpha 1 inhibitor;
Hsp90 inhibitor;
synthetic oral contraceptive
abt 869[no description available]low00aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2-ethyl-3-methoxy-N-(2-thiophen-2-ylethyl)-6-indazolecarboxamide[no description available]low00indazoles
N-(1-adamantylmethyl)-2-ethyl-3-methoxy-6-indazolecarboxamide[no description available]low00indazoles
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propyl-6-indazolecarboxamide[no description available]low00indazoles
N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxy-6-indazolecarboxamide[no description available]low00indazoles
3-chloro-N-propan-2-yl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide[no description available]low00indazoles
N-(2-oxolanylmethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide[no description available]low00indazoles
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide[no description available]low00indazoles
N-(2-methoxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide[no description available]low00indazoles
N-(2-hydroxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide[no description available]low00indazoles
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine[no description available]low00indazoles
gdc 0941[no description available]low00indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sch772984[no description available]low00biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
niraparib[no description available]low00benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
entrectinib[no description available]low00benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gsk 2334470[no description available]low00indazoles
AKB48[no description available]low00aromatic amide;
indazoles
MK-8353[no description available]low00aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
epz005687[no description available]low00indazoles
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone[no description available]low00indazoles
N-cyclopropyl-3-[3-[[cyclopropyl(oxo)methyl]amino]-1H-indazol-6-yl]benzamide[no description available]low00indazoles
Adb-fubinaca[no description available]low00aromatic amide;
indazoles
gsk343[no description available]low00aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
n-(1-adamantyl)-1-(5-fluoropentyl)-1h-indazole-3-carboxamide[no description available]low00aromatic amide;
indazoles
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
dihydro-3-coumaric acid[no description available]low00monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
2-(3-pyridine)acetic acid[no description available]low00monocarboxylic acid;
pyridines		human xenobiotic metabolite
gamma-aminobutyric acid[no description available]low00amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
formic acid[no description available]low00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
aminooxyacetic acid[no description available]low00amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
gamma-guanidinobutyric acid[no description available]low00guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1-aminocyclopropane-1-carboxylic acid[no description available]low00amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite
phosphonoacetic acid[no description available]low00monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
5,6-dihydroorotate[no description available]low00monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
indoleacetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
phosphoenolpyruvate[no description available]low00carboxyalkyl phosphate;
monocarboxylic acid		fundamental metabolite
4-(2,4-dichlorophenoxy)butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin
homovanillic acid[no description available]low00guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
alpha-methyl-m-tyrosine[no description available]low00monocarboxylic acid
aristolochic acid i[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
metrizoate[no description available]low00monocarboxylic acidradioopaque medium
carbidopa[no description available]low00benzenes;
monocarboxylic acid
cetraxate[no description available]low00benzenes;
monocarboxylic acid
chrysanthemic acid[no description available]low00cyclopropanes;
monocarboxylic acid		plant metabolite
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
fleroxacin[no description available]low00difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ici 204448[no description available]low00monocarboxylic acid
iopanoic acid[no description available]low00monocarboxylic acid
sarkolysin[no description available]low00monocarboxylic acid
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]low00benzenes;
monocarboxylic acid
oxonic acid[no description available]low001,3,5-triazines;
monocarboxylic acid
oxyphencyclimine[no description available]low00monocarboxylic acid
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
SU5402[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		fibroblast growth factor receptor antagonist
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
tyropanoate[no description available]low00benzenes;
monocarboxylic acid
dichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
bis(p-chlorophenyl)acetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
mecoprop[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes
fenoprop[no description available]low00monocarboxylic acidphenoxy herbicide
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
iophenoxic acid[no description available]low00benzenes;
monocarboxylic acid
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
cyclohexanecarboxylic acid[no description available]low00monocarboxylic acid
diphenylacetic acid[no description available]low00monocarboxylic acidxenobiotic metabolite
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
amprotropine[no description available]low00monocarboxylic acid
cyanoacetic acid[no description available]low00monocarboxylic acid
difluoroacetic acid[no description available]low00monocarboxylic acid;
organofluorine compound
5-methylpyrazole-3-carboxylic acid[no description available]low00monocarboxylic acid;
pyrazoles		metabolite
hydantoic acid[no description available]low00monocarboxylic acid;
N-acylglycine;
ureas		rat metabolite;
xenobiotic metabolite
abietic acid[no description available]low00abietane diterpenoid;
monocarboxylic acid		plant metabolite
3,5-dibromotyrosine[no description available]low00monocarboxylic acid
3-aminobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
4-carboxybenzaladehyde[no description available]low00benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
dibromoacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
3-hydroxypicolinic acid[no description available]low00monocarboxylic acid;
monohydroxypyridine		MALDI matrix material
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
cyclopropanecarboxylic acid[no description available]low00cyclopropanes;
monocarboxylic acid
(4-tert-Butyl-phenoxy)-acetic acid[no description available]low00monocarboxylic acid
3-methoxyphenylacetic acid[no description available]low00monocarboxylic acid
4-chlorophenylacetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite
4-hydroxyphenoxyacetic acid[no description available]low00monocarboxylic acid
5-phenylvaleric acid[no description available]low00benzenes;
monocarboxylic acid
2-(4-chlorophenoxy)propionic acid[no description available]low00monocarboxylic acidphenoxy herbicide
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
nafenopin[no description available]low00aromatic ether;
monocarboxylic acid
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
ochratoxin b[no description available]low00isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite
cyclohexaneacetic acid[no description available]low00monocarboxylic acid
glucoheptonate[no description available]low00carbohydrate acid;
monocarboxylic acid		metabolite
6-methoxy-2-naphthylacetic acid[no description available]low00methoxynaphthalene;
monocarboxylic acid		drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
7-aminodesacetoxycephalosporanic acid[no description available]low00cephalosporin;
monocarboxylic acid
butyl(3-carboxypropyl)nitrosamine[no description available]low00monocarboxylic acid;
nitrosamine		carcinogenic agent
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
acifluorfen[no description available]low00aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
pefloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
imazaquin[no description available]low00imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid
difloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite
brequinar[no description available]low00biphenyls;
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
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
etofibrate[no description available]low00monocarboxylic acid
fradafiban[no description available]low00carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones		platelet glycoprotein-IIb/IIIa receptor antagonist
phenylacetylglycine[no description available]low00monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
tianeptine[no description available]low00dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
binifibrate[no description available]low00monocarboxylic acid
5-imidazolepropionic acid[no description available]low00imidazoles;
monocarboxylic acid
gr 117289[no description available]low001-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent
alborixin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic		ionophore
madecassic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
monotropein[no description available]low00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
3-(3,4-dimethoxyphenyl)propanoic acid[no description available]low00dimethoxybenzene;
monocarboxylic acid
n-methylhippuric acid[no description available]low00monocarboxylic acid;
N-acylglycine		EC 1.1.1.21 (aldehyde reductase) inhibitor
methylimidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
6-carboxyfluorescein[no description available]low00monocarboxylic acid
4-(2-thienyl)butyric acid[no description available]low00monocarboxylic acid;
thiophenes		hapten
3-(trimethylsilyl)propionic acid[no description available]low00monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid[no description available]low00benzenes;
monocarboxylic acid
ritalinic acid[no description available]low00monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite
indole-1-acetic acid[no description available]low00indolyl carboxylic acid;
monocarboxylic acid
(1-hydroxycyclopentyl)phenylacetic acid[no description available]low00monocarboxylic acid;
tertiary alcohol
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
quinclorac[no description available]low00monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid		agrochemical;
herbicide;
synthetic auxin
gypsogenin[no description available]low00aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
beta-hydroxyphenylpropionic acid[no description available]low003-hydroxy carboxylic acid;
monocarboxylic acid
salicylamide-2-acetic acid[no description available]low00monocarboxylic acid
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
2,6-dichloroisonicotinic acid[no description available]low00monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
1-phenazinecarboxylic acid[no description available]low00aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid[no description available]low00imidothioate;
monocarboxylic acid
alpha-methylphenylalanine[no description available]low00benzenes;
monocarboxylic acid
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
asiatic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
bw 245c[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol
piscidic acid[no description available]low00benzenes;
monocarboxylic acid
celastrol[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
4-carboxyfluorescein[no description available]low00monocarboxylic acidfluorochrome
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
ectoine[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion		osmolyte
chrysobactin[no description available]low00catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound		bacterial metabolite;
siderophore
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
agn 190299[no description available]low00monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent
3-bromotyrosine[no description available]low00monocarboxylic acid
varespladib[no description available]low00aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
clofibride[no description available]low00monocarboxylic acid
carbazic acid[no description available]low00monocarboxylic acid;
one-carbon compound
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
3,5-dihydroxyphenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
fukiic acid[no description available]low00benzenes;
monocarboxylic acid
delta-1-piperidine-6-carboxylic acid[no description available]low00monocarboxylic acid;
tetrahydropyridine		mammalian metabolite
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
3-hydroxy-5-cholestenoic acid[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite
enrasentan[no description available]low00aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist
quizalofop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative
9-mercaptodethiobiotin[no description available]low00imidazolidinone;
monocarboxylic acid;
thiol;
ureas		Escherichia coli metabolite
proclavaminic acid[no description available]low00amino acid zwitterion;
azetidines;
monocarboxylic acid
orantinib[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
sandaracopimaric acid[no description available]low00monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite
7-methoxycoumarin-4-acetic acid[no description available]low00monocarboxylic acidfluorochrome
monensin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore
isopimaric acid[no description available]low00carbotricyclic compound;
diterpenoid;
monocarboxylic acid
nanaomycin a[no description available]low00benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones		bacterial metabolite
theogallin[no description available]low00gallate ester;
monocarboxylic acid;
tertiary alcohol
bispyribac[no description available]low00aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
mupirocin[no description available]low00alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
gw 409544[no description available]low00monocarboxylic acid
steviol[no description available]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
bevirimat[no description available]low00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
bromochloroacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
neurosporaxanthin[no description available]low00apo carotenoid C35 terpenoid;
monocarboxylic acid
canrenoic acid[no description available]low003-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester[no description available]low00monocarboxylic acid
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
epalrestat[no description available]low00monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00monocarboxylic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester[no description available]low00monocarboxylic acid
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester[no description available]low00monocarboxylic acid
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid[no description available]low00benzenes;
monocarboxylic acid
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
helvolic acid[no description available]low003-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
6-oxopiperidine-2-carboxylate[no description available]low00delta-lactam;
monocarboxylic acid		bacterial metabolite
3-sulfinopropionic acid[no description available]low00monocarboxylic acid;
organosulfinic acid
amibegron[no description available]low00monocarboxylic acid
ifetroban[no description available]low00benzenes;
monocarboxylic acid
chuangxinmycin[no description available]low00indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
2-oxindole-3-acetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine[no description available]low00adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
3-phenyl-3-(1-tetrazolyl)propanoic acid[no description available]low00benzenes;
monocarboxylic acid
gw 7647[no description available]low00aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid[no description available]low00gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sm 21[no description available]low00monocarboxylic acid
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
sofalcone[no description available]low00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
16,16-dimethylprostaglandin e2[no description available]low00cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
13,14-dihydroretinoic acid[no description available]low00monocarboxylic acid;
retinoid
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
ici 215001[no description available]low00monocarboxylic acid
gw 501516[no description available]low001,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
brl 37344[no description available]low00monocarboxylic acid
cp533536[no description available]low00monocarboxylic acid
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
gw0742[no description available]low00monocarboxylic acid
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid[no description available]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
carmine[no description available]low00C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
ki16425[no description available]low00carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
artemisic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
tafamidis[no description available]low001,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug
dihydroartemisinic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
pyrostatin a[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol
roburic acid[no description available]low00monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite
imidazoleacetic acid ribotide[no description available]low00imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate
vanchrobactin[no description available]low00catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol		bacterial metabolite;
marine metabolite;
siderophore
spongia-13(16),14-dien-19-oic acid[no description available]low00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
germacra-1(10),4,11(13)-trien-12-oic acid[no description available]low00germacrane sesquiterpenoid;
monocarboxylic acid
ascr#5[no description available]low00monocarboxylic acid;
omega-hydroxy fatty acid ascaroside		Caenorhabditis elegans metabolite;
pheromone
tropodithietic acid[no description available]low00cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin
fumimycin[no description available]low001-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol		antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
lesinurad[no description available]low00aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
saroglitazar[no description available]low00aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Actinic Reticuloid Syndrome0low10
Acute Liver Injury, Drug-Induced0low90
Adverse Drug Event0low20
Adverse Drug Reaction0low20
Allergic Contact Dermatitis0low10
Anemia, Aplastic0low10
Anemia, Hypoplastic0low10
Aplastic Anaemia0low10
Aplastic Anemia0low10
Arthritis, Rheumatoid0low10
Autoimmune Disease0low10
Autoimmune Diseases0low10
Burns0low10
Cataract0medium91
Cataract, Membranous0medium91
Chemical and Drug Induced Liver Injury0low90
Chemical and Drug Induced Liver Injury, Chronic0low10
Chemical-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Toxicity0low90
Chronic Actinic Dermatitis0low10
Chronic Drug-Induced Liver Injury0low10
Chronic Hepatitis0low10
Cryptogenic Chronic Hepatitis0low10
Dermatitis, Actinic0low10
Dermatitis, Allergic Contact0low10
Dermatitis, Allergic Eczematous0low10
Dermatitis, Contact, Allergic0low10
Dermatitis, Occupational0low10
Dermatoses0low10
Dermatosis0low10
Dermatosis, Industrial0low10
Disease Models, Animal0low10
Drug Side Effects0low20
Drug Toxicity0low20
Drug-Induced Acute Liver Injury0low90
Drug-Induced Liver Disease0low90
Drug-Induced Liver Injury0low90
Drug-Induced Liver Injury, Chronic0low10
Drug-Related Side Effects and Adverse Reactions0low20
Encephalopathy, Hepatic0low20
Encephalopathy, Hepatocerebral0low20
Encephalopathy, Portal-Systemic0low20
Encephalopathy, Portosystemic0low20
Extravascular Hemolysis0low10
Fulminant Hepatic Failure with Cerebral Edema0low20
Haemolysis0low10
Hemolysis0low10
Hepatic Coma0low20
Hepatic Encephalopathy0low20
Hepatic Stupor0low20
Hepatitis, Chronic0low10
Hepatitis, Chronic Active0low10
Hepatitis, Chronic Persistent0low10
Hepatitis, Chronic, Cryptogenic0low10
Hepatitis, Chronic, Drug-Induced0low10
Hepatitis, Chronic, Drug-Related0low10
Hepatitis, Drug-Induced0low90
Hepatitis, Toxic0low90
Hepatocerebral Encephalopathy0low20
Industrial Dermatosis0low10
Inflammation0low10
Injuries, Radiation0low10
Innate Inflammatory Response0low10
Intravascular Hemolysis0low10
Lens Opacities0medium91
Liver Injury, Drug-Induced0low90
Liver Injury, Drug-Induced, Acute0low90
Liver Injury, Drug-Induced, Chronic0low10
Occupational Dermatitis0low10
Photodermatitis0low10
Photosensitivity Disorders0low10
Photosensitization0low10
Portal-Systemic Encephalopathy0low20
Portosystemic Encephalopathy0low20
Pseudoaphakia0medium91
Radiation Injuries0low10
Radiation Sickness0low10
Radiation Syndrome0low10
Rheumatic Diseases0low10
Rheumatism0low10
Rheumatoid Arthritis0low10
Side Effects of Drugs0low20
Skin and Subcutaneous Tissue Disorders0low10
Skin Diseases0low10
Toxic Hepatitis0low90
Toxicity, Drug0low20
Varices0low10
Varicose Veins0low10
Varix0low10
Vascular Diseases0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Disease Models, Animal0low10
Fever, Zika0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (1)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (1)

ArticleYear
Investigations on the ocular pharmacokinetics of bendazac in rabbits.
Experimental and molecular pathology, Volume: 43, Issue: 3		1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (2)

ArticleYear
FDA-approved drug labeling for the study of drug-induced liver injury.
Drug discovery today, Volume: 16, Issue: 15-16		2011
Bendazac and benzydamine for treatment of cataract: individualized therapy by the "BLOA test".
Journal of ocular pharmacology,Summer, Volume: 2, Issue: 3		1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]