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

metylperon

Description

metylperon: RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID15387
CHEMBL ID1531134
CHEBI ID93626
SCHEMBL ID146287
MeSH IDM0052452

Synonyms (63)

Synonym
LS-14514
methylperone
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
3575-80-2
fg 5111
PDSP1_000849
PDSP2_000836
bunil (tn)
melperone (inn)
D07309
melperone
4'-fluoro-4-(4-methylpiperidino)butyrophenone
melperone [inn:ban:dcf]
c16h22fno
melperona [inn-spanish]
metylperon
melperon
metylperonum
melperonum [inn-latin]
4'-fluor-4-(4-methylpiperidino)butyrophenon
bunil
NCGC00167744-01
L000772
1-(4-fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone
nsc_15387
cas_3575-80-2
bdbm81771
AKOS005899956
flubuperone
CHEMBL1531134
fg-5111
dtxcid603298
tox21_112583
dtxsid0023298 ,
cas-3575-80-2
melperonum
j8wa3k39b7 ,
unii-j8wa3k39b7
melperona
ec 609-173-2
FT-0670987
BRD-K92984783-003-01-6
SCHEMBL146287
NCGC00167744-02
tox21_112583_1
melperone [who-dd]
melperone [inn]
melperone [mi]
M2622
DB09224
CHEBI:93626
melperone 1.0 mg/ml in methanol
MRF-0000450
Z138288808
Q415972
mfcd00867737
BRD-K92984783-003-02-4
CS-0020914
HY-B2169
A929274
EN300-186797
AB90931
E84508

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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)
acetylcholinesteraseHomo sapiens (human)Potency43.64860.002541.796015,848.9004AID1347395
AR proteinHomo sapiens (human)Potency10.68220.000221.22318,912.5098AID743035
cytochrome P450 2D6Homo sapiens (human)Potency0.19500.00108.379861.1304AID1645840
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency15.84890.01789.637444.6684AID588834
peripheral myelin protein 22Rattus norvegicus (Norway rat)Potency16.13660.005612.367736.1254AID624032
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ATP-binding cassette sub-family C member 3Homo sapiens (human)IC50 (µMol)133.00000.63154.45319.3000AID1473740
Multidrug resistance-associated protein 4Homo sapiens (human)IC50 (µMol)133.00000.20005.677410.0000AID1473741
Bile salt export pumpHomo sapiens (human)IC50 (µMol)133.00000.11007.190310.0000AID1473738
Canalicular multispecific organic anion transporter 1Homo sapiens (human)IC50 (µMol)133.00002.41006.343310.0000AID1473739
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (41)

Processvia Protein(s)Taxonomy
xenobiotic metabolic processATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
bile acid and bile salt transportATP-binding cassette sub-family C member 3Homo sapiens (human)
glucuronoside transportATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transportATP-binding cassette sub-family C member 3Homo sapiens (human)
transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
leukotriene transportATP-binding cassette sub-family C member 3Homo sapiens (human)
monoatomic anion transmembrane transportATP-binding cassette sub-family C member 3Homo sapiens (human)
transport across blood-brain barrierATP-binding cassette sub-family C member 3Homo sapiens (human)
prostaglandin secretionMultidrug resistance-associated protein 4Homo sapiens (human)
cilium assemblyMultidrug resistance-associated protein 4Homo sapiens (human)
platelet degranulationMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic metabolic processMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
bile acid and bile salt transportMultidrug resistance-associated protein 4Homo sapiens (human)
prostaglandin transportMultidrug resistance-associated protein 4Homo sapiens (human)
urate transportMultidrug resistance-associated protein 4Homo sapiens (human)
glutathione transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
cAMP transportMultidrug resistance-associated protein 4Homo sapiens (human)
leukotriene transportMultidrug resistance-associated protein 4Homo sapiens (human)
monoatomic anion transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
export across plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
transport across blood-brain barrierMultidrug resistance-associated protein 4Homo sapiens (human)
guanine nucleotide transmembrane transportMultidrug resistance-associated protein 4Homo sapiens (human)
fatty acid metabolic processBile salt export pumpHomo sapiens (human)
bile acid biosynthetic processBile salt export pumpHomo sapiens (human)
xenobiotic metabolic processBile salt export pumpHomo sapiens (human)
xenobiotic transmembrane transportBile salt export pumpHomo sapiens (human)
response to oxidative stressBile salt export pumpHomo sapiens (human)
bile acid metabolic processBile salt export pumpHomo sapiens (human)
response to organic cyclic compoundBile salt export pumpHomo sapiens (human)
bile acid and bile salt transportBile salt export pumpHomo sapiens (human)
canalicular bile acid transportBile salt export pumpHomo sapiens (human)
protein ubiquitinationBile salt export pumpHomo sapiens (human)
regulation of fatty acid beta-oxidationBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transportBile salt export pumpHomo sapiens (human)
bile acid signaling pathwayBile salt export pumpHomo sapiens (human)
cholesterol homeostasisBile salt export pumpHomo sapiens (human)
response to estrogenBile salt export pumpHomo sapiens (human)
response to ethanolBile salt export pumpHomo sapiens (human)
xenobiotic export from cellBile salt export pumpHomo sapiens (human)
lipid homeostasisBile salt export pumpHomo sapiens (human)
phospholipid homeostasisBile salt export pumpHomo sapiens (human)
positive regulation of bile acid secretionBile salt export pumpHomo sapiens (human)
regulation of bile acid metabolic processBile salt export pumpHomo sapiens (human)
transmembrane transportBile salt export pumpHomo sapiens (human)
xenobiotic metabolic processCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
negative regulation of gene expressionCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bile acid and bile salt transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bilirubin transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
heme catabolic processCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic export from cellCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transepithelial transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
leukotriene transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
monoatomic anion transmembrane transportCanalicular multispecific organic anion transporter 1Homo sapiens (human)
transport across blood-brain barrierCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transport across blood-brain barrierCanalicular multispecific organic anion transporter 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (24)

Processvia Protein(s)Taxonomy
ATP bindingATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type xenobiotic transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
glucuronoside transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type bile acid transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATP hydrolysis activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATPase-coupled transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
xenobiotic transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
icosanoid transmembrane transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
ABC-type transporter activityATP-binding cassette sub-family C member 3Homo sapiens (human)
guanine nucleotide transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
protein bindingMultidrug resistance-associated protein 4Homo sapiens (human)
ATP bindingMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type xenobiotic transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
prostaglandin transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
urate transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
purine nucleotide transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type bile acid transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
efflux transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATP hydrolysis activityMultidrug resistance-associated protein 4Homo sapiens (human)
glutathione transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATPase-coupled transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
xenobiotic transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
ABC-type transporter activityMultidrug resistance-associated protein 4Homo sapiens (human)
protein bindingBile salt export pumpHomo sapiens (human)
ATP bindingBile salt export pumpHomo sapiens (human)
ABC-type xenobiotic transporter activityBile salt export pumpHomo sapiens (human)
bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
canalicular bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transporter activityBile salt export pumpHomo sapiens (human)
ABC-type bile acid transporter activityBile salt export pumpHomo sapiens (human)
ATP hydrolysis activityBile salt export pumpHomo sapiens (human)
protein bindingCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATP bindingCanalicular multispecific organic anion transporter 1Homo sapiens (human)
organic anion transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type xenobiotic transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
bilirubin transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATP hydrolysis activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATPase-coupled transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
xenobiotic transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
ABC-type transporter activityCanalicular multispecific organic anion transporter 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (17)

Processvia Protein(s)Taxonomy
plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
basal plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
basolateral plasma membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
membraneATP-binding cassette sub-family C member 3Homo sapiens (human)
nucleolusMultidrug resistance-associated protein 4Homo sapiens (human)
Golgi apparatusMultidrug resistance-associated protein 4Homo sapiens (human)
plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
membraneMultidrug resistance-associated protein 4Homo sapiens (human)
basolateral plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
apical plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
platelet dense granule membraneMultidrug resistance-associated protein 4Homo sapiens (human)
external side of apical plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
plasma membraneMultidrug resistance-associated protein 4Homo sapiens (human)
basolateral plasma membraneBile salt export pumpHomo sapiens (human)
Golgi membraneBile salt export pumpHomo sapiens (human)
endosomeBile salt export pumpHomo sapiens (human)
plasma membraneBile salt export pumpHomo sapiens (human)
cell surfaceBile salt export pumpHomo sapiens (human)
apical plasma membraneBile salt export pumpHomo sapiens (human)
intercellular canaliculusBile salt export pumpHomo sapiens (human)
intracellular canaliculusBile salt export pumpHomo sapiens (human)
recycling endosomeBile salt export pumpHomo sapiens (human)
recycling endosome membraneBile salt export pumpHomo sapiens (human)
extracellular exosomeBile salt export pumpHomo sapiens (human)
membraneBile salt export pumpHomo sapiens (human)
plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
cell surfaceCanalicular multispecific organic anion transporter 1Homo sapiens (human)
apical plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
intercellular canaliculusCanalicular multispecific organic anion transporter 1Homo sapiens (human)
apical plasma membraneCanalicular multispecific organic anion transporter 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (62)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' 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]
AID540212Mean residence time in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
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
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]
AID1473738Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID540209Volume of distribution at steady state in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1473740Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
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]
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]
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID540213Half life in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1473741Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1473739Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID540210Clearance in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079945Animal toxicity known. [column 'TOXIC' 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]
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (104)

TimeframeStudies, This Drug (%)All Drugs %
pre-199049 (47.12)18.7374
1990's15 (14.42)18.2507
2000's16 (15.38)29.6817
2010's18 (17.31)24.3611
2020's6 (5.77)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials25 (21.93%)5.53%
Reviews3 (2.63%)6.00%
Case Studies8 (7.02%)4.05%
Observational0 (0.00%)0.25%
Other78 (68.42%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (1)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
Safety and Efficacy of Melperone in the Treatment of Patients With Psychosis Associated With Parkinson's Disease[NCT00125138]Phase 290 participants (Actual)Interventional2005-07-31Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Investigator/Caregiver Evaluations of Motor Function

The change in the motor section of the Unified Parkinson's Disease Rating Scale (UPDRS III - motor exam) score. Scores on the UPDRS III - motor exam range from 0 to 108, with higher scores indicating more severe motor symptoms. (NCT00125138)
Timeframe: 6 weeks (from Baseline to end of Maintenance Period)

InterventionScores on a scale (Mean)
Melperone HCl - 20 mg0.7
Melperone HCl - 40 mg1.8
Melperone HCl - 60 mg0.9
Placebo0.5

Patient Evaluation of Symptoms of Psychosis.

The change in the Scale for Assessment of Positive Symptoms (SAPS) total score. The SAPS total score ranges from 0 to 170, with higher scores indicating more severe psychosis. (NCT00125138)
Timeframe: 6 weeks (from Baseline to end of Maintenance Period)

InterventionScores on a scale (Least Squares Mean)
Melperone HCl - 20 mg-9.8
Melperone HCl - 40 mg-12.9
Melperone HCl - 60 mg-9.7
Placebo-10.0

SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
quinacrine[no description available]medium10acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
1-(3-chlorophenyl)piperazine[no description available]medium20monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
enprofylline[no description available]medium10oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
tacrine[no description available]medium20acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol[no description available]medium20aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium20acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide[no description available]medium20monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
albuterol[no description available]medium20phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alfuzosin[no description available]medium10monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
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
alprenolol[no description available]medium20secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
diatrizoic acid[no description available]medium20acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
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]medium401-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
amsacrine[no description available]medium20acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine[no description available]medium20pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
aspirin[no description available]medium20benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium50ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azelastine[no description available]medium10monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bevantolol[no description available]medium10propanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisoprolol[no description available]medium20secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromazepam[no description available]medium10organic molecular entity
bromopride[no description available]medium20benzamides
brotizolam[no description available]medium10organic molecular entity
buflomedil[no description available]medium10aromatic ketone
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bunazosin[no description available]medium10quinazolines
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
busulfan[no description available]medium20methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
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]medium20aromatic ether;
nitrile;
polyether;
tertiary amino compound
metrizoate[no description available]medium10monocarboxylic acidradioopaque medium
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
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
chloroquine[no description available]medium20aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
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]medium90organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpromazine[no description available]medium92organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
cifenline[no description available]medium30diarylmethane
cimetidine[no description available]medium20aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofloxacin[no description available]medium20aminoquinoline;
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
citalopram[no description available]medium202-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clomipramine[no description available]medium20dibenzoazepineanticoronaviral 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
clonidine[no description available]medium20clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
dapsone[no description available]medium20substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
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
nordazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
amphetamine[no description available]medium30primary amine
amphetamine[no description available]medium32primary amine
diazepam[no description available]medium701,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazepam[no description available]medium731,4-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]medium10amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
disopyramide[no description available]medium30monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
valproic acid[no description available]medium10branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
domperidone[no description available]medium20benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
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
doxepin[no description available]medium20dibenzooxepine;
tertiary amino compound		antidepressant
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
enoxacin[no description available]medium201,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
ethacrynic acid[no description available]medium20aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
etilefrine[no description available]medium10phenols
felodipine[no description available]medium20dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
fenspiride[no description available]medium10azaspiro compound
fentanyl[no description available]medium20anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fentanyl[no description available]medium21anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fleroxacin[no description available]medium20difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
fluconazole[no description available]medium20conazole 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
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
fluorescite[no description available]medium20benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
foscarnet[no description available]medium10carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
furosemide[no description available]medium20chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glimepiride[no description available]medium20sulfonamide
glipizide[no description available]medium20aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
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
granisetron[no description available]medium10aromatic amide;
indazoles
guanfacine[no description available]medium20acetamides
haloperidol[no description available]medium140aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
haloperidol[no description available]medium142aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
hexobarbital[no description available]medium10barbiturates
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydroflumethiazide[no description available]medium20benzothiadiazine;
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
hydroxyurea[no description available]medium20one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hypericin[no description available]medium10
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
lidocaine[no description available]medium20benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
ifosfamide[no description available]medium20ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium20dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin[no description available]medium20aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iohexol[no description available]medium20benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iopromide[no description available]medium10dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
iothalamic acid[no description available]medium10organic molecular entity
avapro[no description available]medium20azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoniazid[no description available]medium20carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isradipine[no description available]medium20benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium20piperazines
ketamine[no description available]medium20cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium20aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketorolac[no description available]medium10amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
labetalol[no description available]medium10benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lansoprazole[no description available]medium20benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
letrozole[no description available]medium20nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lorazepam[no description available]medium10benzodiazepine
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
maprotiline[no description available]medium20anthracenes
mebendazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium20organic molecular entity
mesalamine[no description available]medium10amino 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]medium10benzenes;
diarylmethane;
ketone;
tertiary amino compound
methapyrilene[no description available]medium10ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium20benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metolazone[no description available]medium10organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
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]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium20aromatic ether;
primary amino compound		anti-arrhythmia drug
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
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
mirtazapine[no description available]medium20benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
moclobemide[no description available]medium20benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium30acetamides;
benzamides		anti-arrhythmia drug
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
nefazodone[no description available]medium20aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nefopam[no description available]medium20benzoxazocine;
tertiary amino compound
nevirapine[no description available]medium20cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nicardipine[no description available]medium20benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium30C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
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]medium201,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
nomifensine[no description available]medium10isoquinolinesdopamine uptake inhibitor
nortriptyline[no description available]medium30organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin[no description available]medium203-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium30aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium20carbazoles
oxazepam[no description available]medium301,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxazepam[no description available]medium311,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxiracetam[no description available]medium10organonitrogen compound;
organooxygen compound
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
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
papaverine[no description available]medium20benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pentamidine[no description available]medium20aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium20oxopurine
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetin[no description available]medium20acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
pimobendan[no description available]medium10benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
pindolol[no description available]medium20indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
piretanide[no description available]medium10aromatic ether
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
prilocaine[no description available]medium10amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic
primaquine[no description available]medium20aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
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
procyclidine[no description available]medium20pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium20phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propafenone[no description available]medium20aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium20naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridostigmine[no description available]medium10pyridinium ion
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
ranitidine[no description available]medium20aralkylamine
risperidone[no description available]medium601,2-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
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
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
risedronic acid[no description available]medium10pyridines
sotalol[no description available]medium20ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
imatinib[no description available]medium20aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]medium20dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) 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
sulfinpyrazone[no description available]medium10pyrazolidines;
sulfoxide		uricosuric drug
sulfisoxazole[no description available]medium20isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sumatriptan[no description available]medium20sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacin[no description available]medium20N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide[no description available]medium20imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]medium20furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
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
thalidomide[no description available]medium10phthalimides;
piperidones
thiotepa[no description available]medium20aziridines
tinidazole[no description available]medium20imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tizanidine[no description available]medium20benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolbutamide[no description available]medium20N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium20monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triamterene[no description available]medium20pteridinesdiuretic;
sodium channel blocker
triazolam[no description available]medium10triazolobenzodiazepinesedative
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
urapidil[no description available]medium20piperazines
venlafaxine[no description available]medium20cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
viloxazine[no description available]medium10aromatic ether
zaleplon[no description available]medium20nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zolpidem[no description available]medium10imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zopiclone[no description available]medium20monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
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
prednisolone[no description available]medium3111beta-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
cephaloridine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
prednisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
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
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
ethinyl estradiol[no description available]medium2017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
apomorphine[no description available]medium30aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
kanamycin a[no description available]medium20kanamycinsbacterial metabolite
levodopa[no description available]medium30amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
methicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
colchicine[no description available]medium20alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
triamcinolone acetonide[no description available]medium2011beta-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
phencyclidine[no description available]medium10benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
dichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
methylprednisolone[no description available]medium206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
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
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
pirinitramide[no description available]medium10nitrile
edrophonium bromide[no description available]medium10
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
galantamine[no description available]medium20benzazepine 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
betamethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
ketobemidone[no description available]medium10piperidines
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium10amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
lithium carbonate[no description available]medium10carbonate salt;
lithium salt		antimanic drug
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin[no description available]medium20cyclic ketone;
erythromycin
levonorgestrel[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
lormetazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		sedative
vinblastine[no description available]medium10
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
benperidol[no description available]medium10aromatic ketone
chlordesmethyldiazepam[no description available]medium10benzodiazepine
stavudine[no description available]medium20dihydrofuran;
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
dicloxacillin[no description available]medium20dichlorobenzene;
penicillin		antibacterial drug
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium20organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
beclomethasone dipropionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
terodiline[no description available]medium10diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene[no description available]medium10
zalcitabine[no description available]medium20pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
metocurine iodide[no description available]medium10aromatic ether
apazone[no description available]medium10benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
cephapirin[no description available]medium10cephalosporinantibacterial drug
pregnanolone[no description available]medium103-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative
du-21220[no description available]medium10benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
ribostamycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
indoramin[no description available]medium20tryptamines
toloxatone[no description available]medium10oxazolidinone;
primary alcohol;
toluenes
zidovudine[no description available]medium20azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
sisomicin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative
amdinocillin[no description available]medium10penicillinantibacterial drug;
antiinfective agent
tobramycin[no description available]medium20amino 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
ticarcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
trimazosin[no description available]medium10N-arylpiperazine
ribavirin[no description available]medium201-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
adinazolam[no description available]medium10triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
amikacin[no description available]medium20alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
tolamolol[no description available]medium10
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
tocainide[no description available]medium10monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sulbenicillin[no description available]medium10penicillin
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
vecuronium bromide[no description available]medium20organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist
meptazinol[no description available]medium10azepanes
sufentanil[no description available]medium10anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
medroxalol[no description available]medium10salicylamides
epirubicin[no description available]medium10aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefmetazole[no description available]medium10cephalosporinantibacterial drug
lorcainide[no description available]medium20acetamides
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
ceforanide[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium20aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
moxalactam[no description available]medium10cephalosporin;
oxacephem		antibacterial drug
endralazine[no description available]medium10benzamides
cefadroxil anhydrous[no description available]medium20cephalosporinantibacterial drug
encainide[no description available]medium10benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
pefloxacin[no description available]medium20fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
cefotetan[no description available]medium20
recainam[no description available]medium10
lovastatin[no description available]medium20delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
flupirtine[no description available]medium20aminopyridine
enoximone[no description available]medium20aromatic ketone
idazoxan[no description available]medium20benzodioxine;
imidazolines		alpha-adrenergic antagonist
remoxipride[no description available]medium20dimethoxybenzene
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
bambuterol[no description available]medium10carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
atomoxetine[no description available]medium10aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
trospectomycin[no description available]medium10dioxanes
finasteride[no description available]medium203-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
sematilide[no description available]medium10
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
clinafloxacin[no description available]medium10quinolines
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
loxiglumide[no description available]medium10organic molecular entity
sparfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
cidofovir anhydrous[no description available]medium20phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
mibefradil[no description available]medium10tetralinsT-type calcium channel blocker
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
bromfenac[no description available]medium20aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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]medium20aromatic 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
lamivudine[no description available]medium20monothioacetal;
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
irinotecan[no description available]medium10carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
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
zanamivir[no description available]medium10guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan[no description available]medium20oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
fosinoprilat[no description available]medium10L-proline derivative;
phosphinic acids		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin[no description available]medium10
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
iopamidol[no description available]medium10benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
imipramine n-oxide[no description available]medium10dibenzooxazepine
dexloxiglumide[no description available]medium10glutamic acid derivative
intoplicine[no description available]medium10pyridoindole
repaglinide[no description available]medium20piperidines
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
ethinyl estradiol-17-sulfate[no description available]medium10
ethinylestradiol-3-sulfate[no description available]medium1017beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen
cefcanel[no description available]medium10
zoledronic acid[no description available]medium201,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
epristeride[no description available]medium10steroid acid
talinolol[no description available]medium10ureas
denaverine[no description available]medium10diarylmethane
diprafenone[no description available]medium10aromatic compound
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium20aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
ljc 10627[no description available]medium10carbapenems;
organic sulfide;
pyrazolotriazole		antibacterial drug
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
voriconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
betamipron[no description available]medium20organonitrogen compound;
organooxygen compound
bufuralol[no description available]medium10benzofurans
panipenem[no description available]medium10organic molecular entity
perindoprilat[no description available]medium10dicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine[no description available]medium10
methotrimeprazine[no description available]medium30phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
methotrimeprazine[no description available]medium32phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
9-aminocamptothecin[no description available]medium10pyranoindolizinoquinoline
sch 34343[no description available]medium10
squalamine[no description available]medium10bile acid
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
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]medium203-(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
mci 9038[no description available]medium10peptide
imipenem, anhydrous[no description available]medium10beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug
bosentan anhydrous[no description available]medium20primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
asulacrine[no description available]medium10acridines
hydroxycotinine[no description available]medium10N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
quinaprilat[no description available]medium10dicarboxylic acid;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
2-hydroxyimipramine[no description available]medium10dibenzoazepine
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
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
mk 0663[no description available]medium20bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
gefitinib[no description available]medium20aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
methotrexate[no description available]medium20dicarboxylic 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
tamsulosin[no description available]medium105-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
sulbactam[no description available]medium20penicillanic acids
dilevalol[no description available]medium102-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
docetaxel[no description available]medium10hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
irofulven[no description available]medium10cyclohexenones
ym 872[no description available]medium10
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
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
dx 8951[no description available]medium10pyranoindolizinoquinoline
cilomilast[no description available]medium10methoxybenzenes
conivaptan[no description available]medium10benzazepineaquaretic;
vasopressin receptor antagonist
tezosentan[no description available]medium10
sabarubicin[no description available]medium10
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium10isoquinolines
xamoterol[no description available]medium20morpholines
abanoquil[no description available]medium10
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
atropine[no description available]medium30
ropivacaine[no description available]medium10piperidinecarboxamide;
ropivacaine		local anaesthetic
melagatran[no description available]medium10azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
tesaglitazar[no description available]medium10
bms204352[no description available]medium20
fosfluconazole[no description available]medium10conazole antifungal drug;
triazole antifungal drug;
triazoles		prodrug
cp 101,606[no description available]medium10
nsc-89199[no description available]medium10carbamate ester;
organochlorine compound;
steroid phosphate
phenethicillin[no description available]medium10penicillin allergen;
penicillin
acivicin[no description available]medium10isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
bortezomib[no description available]medium20amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
quinidine[no description available]medium30cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium20alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
digitoxin[no description available]medium20cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir[no description available]medium20L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
pancuronium[no description available]medium10acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
rocuronium[no description available]medium103alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
netilmicin[no description available]medium10
miglitol[no description available]medium20piperidines
linezolid[no description available]medium20acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
tolterodine[no description available]medium10tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
fluticasone propionate[no description available]medium2011beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester		adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
acarbose[no description available]medium10amino cyclitol;
glycoside
tacrolimus[no description available]medium20macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium10dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium10dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
clindamycin[no description available]medium10
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
bms 214662[no description available]medium10benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
gs 4071[no description available]medium10acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite
decitabine[no description available]medium202'-deoxyribonucleoside
sm 8668[no description available]medium10
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
troxacitabine[no description available]medium10carbohydrate derivative;
nucleobase-containing molecular entity
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
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
sitafloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
dibekacin[no description available]medium10kanamycinsantibacterial agent;
protein synthesis inhibitor
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
tropisetron[no description available]medium10indolyl carboxylic acid
leuprolide[no description available]medium10oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
fludarabine[no description available]medium10purine nucleoside
propylthiouracil[no description available]medium20pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium20aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
cotinine[no description available]medium10N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
methimazole[no description available]medium201,3-dihydroimidazole-2-thionesantithyroid drug
drotaverin[no description available]medium20isoquinolines
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
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
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
hmr 3647[no description available]medium20
nelarabine[no description available]medium20beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine[no description available]medium10aromatic ether
dolasetron[no description available]medium10indolyl carboxylic acid
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]medium20steroidestrogen
quinine[no description available]medium20cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
isepamicin[no description available]medium10
ifetroban[no description available]medium10benzenes;
monocarboxylic acid
lamifiban[no description available]medium10N-acylglycine
telavancin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent
sitagliptin[no description available]medium20triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tolcapone[no description available]medium202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin[no description available]medium207-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
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
eprosartan[no description available]medium20dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast[no description available]medium10aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mivacurium[no description available]medium10isoquinolines
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
paricalcitol[no description available]medium10hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
sdz psc 833[no description available]medium10homodetic cyclic peptide
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium20homodetic 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
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
nalmefene[no description available]medium20morphinane alkaloid
naloxone[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone[no description available]medium10organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
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
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
cicaprost[no description available]medium10monoterpenoid
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide[no description available]medium20phenylalanine derivative
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
romidepsin[no description available]medium10cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
(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
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
morphine-6-glucuronide[no description available]medium10morphinane alkaloid
butorphanol[no description available]medium20morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefodizime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone[no description available]medium10phenanthrenes
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium20dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate[no description available]medium20dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalaprilat anhydrous[no description available]medium20dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
hr 810[no description available]medium10cephalosporin;
cyclopentapyridine
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet[no description available]medium10cephalosporin
famotidine[no description available]medium201,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b[no description available]medium10
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
cefatrizine[no description available]medium10amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide[no description available]medium10
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
verlukast[no description available]medium10
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
carumonam[no description available]medium10monobactamantibacterial drug
nitrofurantoin[no description available]medium20imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
eritoran[no description available]medium10lipid As
dantrolene[no description available]medium10
artesunate[no description available]medium20artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
dexniguldipine[no description available]medium10diarylmethane
napsagatran[no description available]medium10
temsirolimus[no description available]medium20macrolide lactam
bms188797[no description available]medium10
azimilide[no description available]medium10imidazolidine-2,4-dione
tomopenem[no description available]medium10
bb-83698[no description available]medium10
zotarolimus[no description available]medium10lactam;
macrolide
gentamicin sulfate[no description available]medium10
bn 52020[no description available]medium10
vindesine[no description available]medium10
scopolamine hydrobromide[no description available]medium10
bisaramil[no description available]medium10
teicoplanin[no description available]medium10
ly-146032[no description available]medium20heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
dalbavancin[no description available]medium10carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
tetracycline[no description available]medium20
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
roquinimex[no description available]medium20aromatic amide
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]medium20heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
isoxicam[no description available]medium20benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium10benzenes;
hydroxycoumarin;
methyl ketone
demeclocycline[no description available]medium10
rolitetracycline[no description available]medium10
tigecycline[no description available]medium20
acyclovir[no description available]medium202-aminopurines;
oxopurine		antimetabolite;
antiviral drug
rifampin[no description available]medium20cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium140benzodiazepine;
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
clozapine[no description available]medium141benzodiazepine;
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]medium20dacarbazine
didanosine[no description available]medium20purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium202-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
allopurinol[no description available]medium20nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
aprepitant[no description available]medium20(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
ceftobiprole[no description available]medium10cephalosporin;
thiadiazoles		antimicrobial agent
rifabutin[no description available]medium20
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
aminoglutethimide[no description available]medium10dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
dan 2163[no description available]medium10aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amlexanox[no description available]medium10monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anthralin[no description available]medium10anthracenesantipsoriatic
astemizole[no description available]medium10benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
benzocaine[no description available]medium10benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisacodyl[no description available]medium10diarylmethane
bronopol[no description available]medium10nitro compound
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
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
ciclopirox[no description available]medium10cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic
ciglitazone[no description available]medium10aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
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
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
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
ebastine[no description available]medium10organic molecular entity
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
4-biphenylylacetic acid[no description available]medium10biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
iproniazid[no description available]medium10carbohydrazide;
pyridines
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
nadolol[no description available]medium10tetralins
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
neostigmine[no description available]medium10quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
pemoline[no description available]medium101,3-oxazolescentral nervous system stimulant
pioglitazone[no description available]medium10aromatic 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
piracetam[no description available]medium10organonitrogen compound;
organooxygen compound
piribedil[no description available]medium10N-arylpiperazine
ono 1078[no description available]medium10chromones
pyranoprofen[no description available]medium10pyridochromene
praziquantel[no description available]medium10isoquinolines
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
riluzole[no description available]medium10benzothiazoles
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
sulfanitran[no description available]medium10sulfonamide
sulfasalazine[no description available]medium10
tazarotene[no description available]medium10acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent
terfenadine[no description available]medium10diarylmethane
tiapride[no description available]medium10benzamides
tilorone[no description available]medium10aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
nikethamide[no description available]medium10pyridinecarboxamide
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
thenoyltrifluoroacetone[no description available]medium10
undecylenic acid[no description available]medium10undecenoic acidantifungal drug;
plant metabolite
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
pirinixic acid[no description available]medium10aryl sulfide;
organochlorine compound;
pyrimidines
ici 204,219[no description available]medium10carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
carbon tetrachloride[no description available]medium10chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
tubocurarine[no description available]medium10bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
triamcinolone diacetate[no description available]medium10corticosteroid hormone
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
medroxyprogesterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
rotenone[no description available]medium10organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
procarbazine hydrochloride[no description available]medium10hydrochlorideantineoplastic agent
emetine[no description available]medium10isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
dimenhydrinate[no description available]medium10diarylmethane
1-naphthylisothiocyanate[no description available]medium10isothiocyanateinsecticide
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
hydroxychloroquine sulfate[no description available]medium10
ethambutol hydrochloride[no description available]medium10hydrochlorideantitubercular agent
antimycin a[no description available]medium10benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
pregnenolone carbonitrile[no description available]medium10aliphatic nitrile
metocurine[no description available]medium10isoquinolines
etidronate disodium[no description available]medium10organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
mafenide acetate[no description available]medium10carboxylic acid
diacerein[no description available]medium10anthraquinone
selegiline hydrochloride, (r)-isomer[no description available]medium10hydrochloride;
terminal acetylenic compound		antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pancuronium bromide[no description available]medium10bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
ornidazole[no description available]medium10C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
benzonidazole[no description available]medium10C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
feprazone[no description available]medium10organic molecular entity
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
atracurium besylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		muscle relaxant;
nicotinic antagonist
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
pergolide mesylate[no description available]medium10methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
talniflumate[no description available]medium10benzofurans
fenoldopam mesylate[no description available]medium10benzazepine
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
stepronin[no description available]medium10N-acyl-amino acid
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
cabergoline[no description available]medium10N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
salmeterol xinafoate[no description available]medium10naphthoic acid
imiquimod[no description available]medium10imidazoquinolineantineoplastic agent;
interferon inducer
sertindole[no description available]medium10heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
adapalene[no description available]medium10adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
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
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
gemcitabine hydrochloride[no description available]medium10hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
atorvastatin calcium anhydrous[no description available]medium10organic calcium salt
duloxetine hydrochloride[no description available]medium10duloxetine hydrochlorideantidepressant
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
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
paroxetine hydrochloride[no description available]medium10hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
bupropion hydrochloride[no description available]medium10aromatic ketone
trazodone hydrochloride[no description available]medium10hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
doxazosin mesylate[no description available]medium10methanesulfonate saltgeroprotector
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
mevastatin[no description available]medium102-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
bupivacaine hydrochloride[no description available]medium10hydrochloride;
racemate		adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
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
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
ticlopidine hydrochloride[no description available]medium10hydrochloride
epirubicin hydrochloride[no description available]medium10
pazufloxacin[no description available]medium10quinolines
miconazole nitrate[no description available]medium10
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
brinzolamide[no description available]medium10sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone[no description available]medium103-oxo-Delta(4) steroid;
steroid lactone		aldosterone antagonist;
contraceptive drug;
progestin
artemether[no description available]medium10artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
hp 873[no description available]medium201,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
loxapine succinate[no description available]medium10succinate saltgeroprotector
uroxatral[no description available]medium10hydrochloride
aceclofenac[no description available]medium10amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
thiocolchicoside[no description available]medium10glycoside
doripenem[no description available]medium10carbapenems
tamiflu[no description available]medium10phosphate salt
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
s20098[no description available]medium10acetamides
flunisolide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
ketorolac tromethamine[no description available]medium10organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
gliquidone[no description available]medium10isoquinolines
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
moxifloxacin hydrochloride[no description available]medium10hydrochlorideantibacterial drug
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
mizoribine[no description available]medium10imidazolesanticoronaviral agent
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
racecadotril[no description available]medium10N-acyl-amino acid
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
plavix[no description available]medium10azaheterocycle sulfate salt;
organoammonium sulfate salt		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
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
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
olmesartan medoxomil[no description available]medium10biphenyls
abiraterone[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro[no description available]medium10
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cox 189[no description available]medium10amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ramelteon[no description available]medium10indanes
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium10benzodioxoles
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
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
vincristine sulfate[no description available]medium10organic sulfate saltantineoplastic agent;
geroprotector
wortmannin[no description available]medium10acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
perindopril erbumine[no description available]medium10addition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
rocuronium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent
pemirolast potassium salt[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
ao 128[no description available]medium10organic molecular entity
loteprednol etabonate[no description available]medium1011beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester		anti-inflammatory drug
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
mupirocin[no description available]medium10alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
valrubicin[no description available]medium10anthracycline;
trifluoroacetamide
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
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
arginine vasopressin[no description available]medium10vasopressincardiovascular drug;
hematologic agent;
mitogen
trilostane[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate[no description available]medium10acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
levosulpiride[no description available]medium10sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
cinnarizine[no description available]medium10diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
sulindac[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
epalrestat[no description available]medium10monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
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
valinomycin[no description available]medium10cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
latoconazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug
maraviroc[no description available]medium10tropane alkaloid
toremifene citrate[no description available]medium10stilbenoidanticoronaviral agent
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
azilect[no description available]medium10
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
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
vitamin d 2[no description available]medium10hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
oxymetholone[no description available]medium10
brompheniramine maleate[no description available]medium10maleate saltanti-allergic agent
dexchlorpheniramine maleate[no description available]medium10organic molecular entity
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
l 660,711[no description available]medium10quinolines
travoprost[no description available]medium10(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
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
imipenem[no description available]medium10carbapenems
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
ketotifen fumarate[no description available]medium10organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
dinoprost tromethamine[no description available]medium10organic molecular entity
rosuvastatin calcium[no description available]medium10N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt		anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
terbinafine hydrochloride[no description available]medium10allylamine antifungal drug;
hydrochloride		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
demycarosylturimycin h[no description available]medium10
acipimox[no description available]medium10pyrazinecarboxylic acid
atosiban[no description available]medium10oligopeptide
bimatoprost[no description available]medium10monocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
latanoprost[no description available]medium10isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
enalapril maleate[no description available]medium10maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
trandolapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
cci 15641[no description available]medium10cephalosporin
tenofovir disoproxil fumarate[no description available]medium10fumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
dexbrompheniramine maleate[no description available]medium10brompheniramine maleateanti-allergic agent;
H1-receptor 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
cefpodoxime proxetil[no description available]medium10carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug
fluphenazine[no description available]medium10
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
bisoprolol, fumarate (1:1) salt[no description available]medium10
etoposide phosphate[no description available]medium10furonaphthodioxole
ciclesonide[no description available]medium10organic molecular entity
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
tekturna[no description available]medium10fumarate saltantihypertensive agent
vildagliptin[no description available]medium10amino acid amide
sgd 301-76[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		antiinfective agent
fluvoxamine maleate[no description available]medium10(trifluoromethyl)benzenes
thioacetazone[no description available]medium10
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
gemifloxacin mesylate[no description available]medium10methanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
rivaroxaban[no description available]medium10aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272[no description available]medium10nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
tofacitinib[no description available]medium10N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
amg 009[no description available]medium10
cefotaxime sodium[no description available]medium10organic sodium salt
losartan potassium[no description available]medium10
dactolisib[no description available]medium10imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
rabeprazole sodium[no description available]medium10organic sodium salt
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
somatostatin[no description available]medium10heterodetic cyclic peptide;
peptide hormone
warfarin sodium[no description available]medium10
pravastatin sodium[no description available]medium10organic sodium salt;
statin (semi-synthetic)		anticholesteremic drug
alendronate sodium[no description available]medium10
sl 80.0750[no description available]medium10
mesna[no description available]medium10organosulfonic acid
clavulanate potassium[no description available]medium10potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium[no description available]medium10organic sodium salt
oxacillin sodium[no description available]medium10organic sodium salt
cefazolin sodium[no description available]medium10organic sodium salt
azlocillin sodium[no description available]medium10organic sodium salt
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
minocycline hydrochloride[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
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
valtrex[no description available]medium10organic molecular entity
olanzapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
raltitrexed[no description available]medium10N-acyl-amino acid
citrovorum factor[no description available]medium10tetrahydrofolic acid
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
sildenafil citrate[no description available]medium10citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
tegaserod maleate[no description available]medium10maleate saltserotonergic agonist
bromperidol[no description available]medium10aromatic ketone
glucose, (beta-d)-isomer[no description available]medium10D-glucopyranoseepitope;
mouse metabolite
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
quetiapine fumarate[no description available]medium20fumarate salt
corticosterone[no description available]medium3011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
sucrose[no description available]medium10glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
sch 23390[no description available]medium10benzazepine
venlafaxine hydrochloride[no description available]medium20hydrochloride
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
piperidines[no description available]medium126
isoxazoles[no description available]medium10isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
cyclohexanol[no description available]medium10cyclohexanols;
secondary alcohol		solvent
mdl 100907[no description available]medium10
8-hydroxy-2-(di-n-propylamino)tetralin[no description available]medium20phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
trihexyphenidyl[no description available]medium10amine
fluorobenzenes[no description available]medium10monofluorobenzenesNMR chemical shift reference compound
dextromethorphan[no description available]medium106-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
loxapine[no description available]medium20dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
chlorprothixene[no description available]medium11chlorprothixene
thioridazine[no description available]medium31phenothiazines;
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
mephenesin[no description available]medium10aromatic ether;
glycerol ether
moperone[no description available]medium10aromatic ketone
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
benzofurans[no description available]medium20
iodine[no description available]medium10diatomic iodinenutrient
thyroxine[no description available]medium102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
alinidine[no description available]medium10
gentamicin[no description available]medium11
fluorine[no description available]medium10diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
raclopride[no description available]medium20salicylamides
n-n-propylnorapomorphine[no description available]medium10
amperozide[no description available]medium21diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas		anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
tiapamil hydrochloride[no description available]medium11
trimeprazine[no description available]medium10phenothiazines
methoxyhydroxyphenylglycol[no description available]medium21methoxybenzenes;
phenols
hydroxyindoleacetic acid[no description available]medium31indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
thiothixene[no description available]medium32thioxanthenes
homovanillic acid[no description available]medium32guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
clopenthixol[no description available]medium33N-alkylpiperazine;
primary alcohol;
thioxanthenes		alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
racemetirosine[no description available]medium10
amobarbital[no description available]medium21barbiturates
setoperone[no description available]medium20
sk&f-38393[no description available]medium10benzazepine;
catechols;
secondary amino compound
fluperlapine[no description available]medium10benzazepine
tiospirone[no description available]medium10
flupenthixol[no description available]medium10thioxanthenes
pyrimidinones[no description available]medium20
dihydroxyphenylalanine[no description available]medium10hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
clopenthixol decanoate[no description available]medium11
6-chloro-2-(1-piperazinyl)pyrazine[no description available]medium10N-arylpiperazine
pyrazines[no description available]medium10diazine;
pyrazines		Daphnia magna metabolite
oxoamide[no description available]low00aromatic ketone
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
bupropion[no description available]low00aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
bw 306u[no description available]low00aromatic ketone
kynurenine[no description available]low00aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
monomethylpropion[no description available]low00aromatic ketone;
secondary amino compound
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
anisindione[no description available]low00aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist
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
celiprolol[no description available]low00aromatic ketone
droperidol[no description available]low00aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dyclonine[no description available]low00aromatic ketone;
piperidines		topical anaesthetic
eperisone[no description available]low00aromatic ketone;
piperidines
eprazinone[no description available]low00aromatic ketone;
ether;
N-alkylpiperazine		mucolytic
nocodazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
metyrapone[no description available]low00aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
phenindione[no description available]low00aromatic ketone;
beta-diketone		anticoagulant
pifithrin[no description available]low00aromatic ketone
pipamperone[no description available]low00aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
pirenperone[no description available]low00aromatic ketone
propiomazine[no description available]low00aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
raloxifene[no description available]low001-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
spiperone[no description available]low00aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
tiaprofenic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
tolmetin[no description available]low00aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
tolperisone[no description available]low00aromatic ketone
trifluperidol[no description available]low00aromatic ketone
zomepirac[no description available]low00aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
acepromazine[no description available]low00aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug
benziodarone[no description available]low00aromatic ketone
musk ketone[no description available]low00aromatic ketone
quinophthalone[no description available]low00aromatic ketone;
beta-diketone;
quinolines		dye
2-acetylthiophene[no description available]low00aromatic ketone
diethylpropion[no description available]low00aromatic ketone;
tertiary amine		appetite depressant
adrenalone[no description available]low00aromatic ketone
dibenzoylmethane[no description available]low00aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite
pyrazolanthrone[no description available]low00anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
benzil[no description available]low00alpha-diketone;
aromatic ketone
4'-(chloroacetyl)acetanilide[no description available]low00acetamides;
alpha-chloroketone;
aromatic ketone
3-acetylpyridine[no description available]low00aromatic ketone
ninhydrin[no description available]low00aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite
capillin[no description available]low00aromatic ketone;
ynone
gallacetophenone[no description available]low00aromatic ketone
1-phenyl-1,2-propanedione[no description available]low00alpha-diketone;
aromatic ketone		plant metabolite
1,3-indandione[no description available]low00aromatic ketone;
beta-diketone;
indanones
phenacylamine[no description available]low00aromatic ketone
2-acetylpyrrole[no description available]low00aromatic ketone;
methyl ketone;
pyrroles
2-acetylpyridine[no description available]low00aromatic ketone
pyrovalerone[no description available]low00aromatic ketone
2-acetylfuran[no description available]low00aromatic ketone;
furans;
methyl ketone
sapropterin[no description available]low00aromatic ketone
fluanisone[no description available]low00aromatic ketone
3-Acetyl-2,4-dimethylpyrrole[no description available]low00aromatic ketone
azaperone[no description available]low00aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist
Propioveratrone[no description available]low00aromatic ketone
2,4-diacetylphloroglucinol[no description available]low00aromatic ketone;
benzenetriol;
diketone;
methyl ketone		antifungal agent;
bacterial metabolite
4-benzoylpyridine[no description available]low00aromatic ketone
pyoluteorin[no description available]low00aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols		antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite
flubendazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
organofluorine compound		antinematodal drug;
teratogenic agent
4-ipomeanol[no description available]low00aromatic ketone
ticrynafen[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
celiprolol hydrochloride[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone[no description available]low00aromatic ketone
3-oxo-3-phenylpropanenitrile[no description available]low00aromatic ketone;
beta-ketonitrile
fenofibric acid[no description available]low00aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
inaperisone[no description available]low00aromatic ketone
valerophenone[no description available]low00aromatic ketoneplant metabolite;
volatile oil component
2,4,6-trihydroxyacetophenone[no description available]low00aromatic ketone;
benzenetriol;
methyl ketone		MALDI matrix material;
plant metabolite
perilla ketone[no description available]low00aromatic ketone
butofilolol[no description available]low00aromatic ketone
2,6-dihydroxyacetophenone[no description available]low00aromatic ketone
2',4'-Dimethoxypropiophenone[no description available]low00aromatic ketone
propipocaine[no description available]low00aromatic ketone
prifelone[no description available]low00aromatic ketone
metamfepramone[no description available]low00aromatic ketone
1-(2,4-dihydroxyphenyl)-1-hexanone[no description available]low00aromatic ketone
1-(2,4-Dihydroxyphenyl)-1-butanone[no description available]low00aromatic ketone
isoxaflutole[no description available]low00(trifluoromethyl)benzenes;
aromatic ketone;
cyclopropanes;
isoxazoles;
sulfone		agrochemical;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
proherbicide
sulcotrione[no description available]low00aromatic ketone;
beta-triketone;
cyclohexanones;
sulfone		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
tolperisone hydrochloride[no description available]low00aromatic ketone
beta-(4-fluorobenzoyl)propionic acid[no description available]low00aromatic ketone
lobeline[no description available]low00aromatic ketone;
piperidine alkaloid;
tertiary amine		nicotinic acetylcholine receptor agonist
aflatoxin q1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite
desethylamiodarone[no description available]low00aromatic ketone
ly 117018[no description available]low001-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols		bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator
fpl 55712[no description available]low00aromatic ketone
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide[no description available]low00aromatic ketone
4-hydoxy-1-(3-pyridyl)-1-butanone[no description available]low00aromatic ketone
1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-1-propanone[no description available]low00aromatic ketone
3-(1-piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone[no description available]low00aromatic ketone
3-n-methylspiperone[no description available]low00aromatic ketone
ly 255283[no description available]low00aromatic ketone
eperisone[no description available]low00aromatic ketone
n-(4-aminophenethyl)spiroperidol[no description available]low00aromatic ketone
esonarimod[no description available]low00aromatic ketone
oxoline[no description available]low00aromatic ketone;
tetralins		geroprotector
n-acetyl-n-formyl-5-methoxykynurenamine[no description available]low00aromatic ketone
4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine[no description available]low00aromatic ketone
mesotrione[no description available]low00aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone		carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
rs 67333[no description available]low00aromatic ketone
aflatoxin b1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
dronedarone[no description available]low001-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
alpha-pyrrolidinopropiophenone[no description available]low00aromatic ketone
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone[no description available]low00aromatic ketone
veratrone[no description available]low00aromatic ketone;
dimethoxybenzene;
primary alcohol
7-benzoyl-3-chloroindolizine-1,2-dicarboxylic acid dimethyl ester[no description available]low00aromatic ketone
bromodeoxytopsentin[no description available]low00aromatic ketone;
bromoindole;
imidazoles;
indole alkaloid		antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite
amiodarone hydrochloride[no description available]low00aromatic ketone
knipholone[no description available]low00aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite
alpha bitter acid[no description available]low00aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
2-Acetylthiazole[no description available]low00aromatic ketone
1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone[no description available]low00aromatic ketone
LSM-42773[no description available]low00aromatic ketone
1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone[no description available]low00aromatic ketone
3-(4-fluoroanilino)-1-(3-nitrophenyl)-1-propanone[no description available]low00aromatic ketone
(5-methoxy-3-benzofuranyl)-phenylmethanone[no description available]low00aromatic ketone
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone[no description available]low00aromatic ketone
(2-amino-5-methyl-3-thiophenyl)-thiophen-2-ylmethanone[no description available]low00aromatic ketone;
thiophenes
1-(2,5-dimethoxyphenyl)-2-[[5-(2-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone[no description available]low00aromatic ketone
2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide[no description available]low00aromatic ketone
2-[[1-(2-methoxyethyl)-5-tetrazolyl]thio]-1-phenylethanone[no description available]low00aromatic ketone
1-(4-methoxyphenyl)-2-(5-thiophen-2-yl-2-tetrazolyl)ethanone[no description available]low00aromatic ketone
1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone[no description available]low00aromatic ketone
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone[no description available]low00aromatic ketone
1-(4-chlorophenyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
(4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone[no description available]low00aromatic ketone
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
N-(4-acetylphenyl)-2-thiophen-2-ylacetamide[no description available]low00aromatic ketone
4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
1-[4-[(2-methyl-4-quinolinyl)amino]phenyl]ethanone[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone[no description available]low00aromatic ketone
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one[no description available]low00aromatic ketone
4-(4-ethoxyphenyl)-4-oxobutanoic acid[no description available]low00aromatic ketone
4-bromo-N-phenacylbenzamide[no description available]low00aromatic ketone
N1-[2-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide[no description available]low00aromatic ketone
1-[4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]ethanone[no description available]low00aromatic ketone
4-amino-2-(phenacylthio)-5-pyrimidinecarboxylic acid ethyl ester[no description available]low00aromatic ketone
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone[no description available]low00aromatic ketone
2-fluoro-N-phenacylbenzamide[no description available]low00aromatic ketone
2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone[no description available]low00aromatic ketoneanticoronaviral agent
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone[no description available]low00aromatic ketone
1-(3-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)phenyl)ethanone[no description available]low00aromatic ketone
1-[4-(1-azepanyl)-3-fluorophenyl]-1-propanone[no description available]low00aromatic ketone
2-(8-quinolinylthio)acetic acid phenacyl ester[no description available]low00aromatic ketone
2-(4-ethoxyanilino)-1-(4-methylphenyl)ethanone[no description available]low00aromatic ketone
1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone[no description available]low00aromatic ketone
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone[no description available]low00aromatic ketone
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one[no description available]low00aromatic ketone
N-(5-benzoyl-4-phenyl-2-thiazolyl)carbamic acid methyl ester[no description available]low00aromatic ketone
2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide[no description available]low00aromatic ketone
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone[no description available]low00aromatic ketone
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide[no description available]low00aromatic ketone
3-(4-bromoanilino)-1-(3-nitrophenyl)-1-propanone[no description available]low00aromatic ketone
3-anilino-1-(3-nitrophenyl)-1-propanone[no description available]low00aromatic ketone
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone[no description available]low00aromatic ketone
3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid[no description available]low00aromatic ketone
(7-methoxy-2-benzofuranyl)-(4-nitrophenyl)methanone[no description available]low00aromatic ketone
4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzoic acid methyl ester[no description available]low00aromatic ketone
4-phenacyloxybenzoic acid methyl ester[no description available]low00aromatic ketone
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone[no description available]low00aromatic ketone
2-(methylamino)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone[no description available]low00aromatic ketone
3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester[no description available]low00aromatic ketone
1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea[no description available]low00aromatic ketone
1-(4-acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea[no description available]low00aromatic ketone
1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone[no description available]low00aromatic ketone
3-tert-butyl-7-[[2-(4-methylphenyl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one[no description available]low00aromatic ketone
LSM-4563[no description available]low00aromatic ketone
1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone[no description available]low00aromatic ketone
1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
Silica aerogel[no description available]low00aromatic ketone
2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone[no description available]low00aromatic ketone
N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide[no description available]low00aromatic ketone
3,4-dimethoxybenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
2-[2-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione[no description available]low00aromatic ketone
2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone[no description available]low00aromatic ketone
2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone[no description available]low00aromatic ketone
1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone[no description available]low00aromatic ketone
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone[no description available]low00aromatic ketone
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone[no description available]low00aromatic ketone
1-(3,4-dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone[no description available]low00aromatic ketone
1-(4-fluorophenyl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone[no description available]low00aromatic ketone
(5-chloro-2-hydroxyphenyl)-[2-ethyl-3-(4-fluorophenyl)-6-pyrazolo[1,5-a]pyrimidinyl]methanone[no description available]low00aromatic ketone
N,N-dimethylcarbamothioic acid O-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,6-dimethylphenyl] ester[no description available]low00aromatic ketone
4-[(4-tert-butylphenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide[no description available]low00aromatic ketone
(4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanone[no description available]low00aromatic ketone
N,N-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester[no description available]low00aromatic ketone
N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] ester[no description available]low00aromatic ketone
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone[no description available]low00aromatic ketone
N-[(phenacylamino)-sulfanylidenemethyl]-2-furancarboxamide[no description available]low00aromatic ketone
3-phenylpropionylglycine[no description available]low00aromatic ketone
4-amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile[no description available]low00aromatic ketone
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile[no description available]low00aromatic ketone
2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone[no description available]low00aromatic ketone
7-amino-9-(phenacylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile[no description available]low00aromatic ketone
6-(bromomethyl)-1,3-dimethyl-5-[(4-nitrophenyl)-oxomethyl]pyrimidine-2,4-dione[no description available]low00aromatic ketone
1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone[no description available]low00aromatic ketone
4-(4-acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester[no description available]low00aromatic ketone
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone[no description available]low00aromatic ketone
2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone[no description available]low00aromatic ketone
2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide[no description available]low00aromatic ketone
1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione[no description available]low00aromatic ketone
3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamide[no description available]low00aromatic ketone;
quinolines
1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone[no description available]low00aromatic ketone
[9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone[no description available]low00aromatic ketone;
quinolines
4-chloro-N-[(phenacylamino)-sulfanylidenemethyl]benzamide[no description available]low00aromatic ketone
N-[(phenacylamino)-sulfanylidenemethyl]cyclohexanecarboxamide[no description available]low00aromatic ketone
4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00aromatic ketone
1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone[no description available]low00aromatic ketone
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone[no description available]low00aromatic ketone
4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
2-chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
3-(1,3-benzothiazol-2-yl)propanoic acid phenacyl ester[no description available]low00aromatic ketone
5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxo-3-pyridinecarboxamide[no description available]low00aromatic ketone
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone[no description available]low00aromatic ketone
2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone[no description available]low00aromatic ketone
2-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-3-pyridinecarboxylic acid[no description available]low00aromatic ketone
2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone[no description available]low00aromatic ketone
2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone[no description available]low00aromatic ketone
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
3-(4-acetylphenyl)-1-(phenylmethyl)-1-propylthiourea[no description available]low00aromatic ketone
2-anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester[no description available]low00aromatic ketone
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide[no description available]low00aromatic ketone
2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone[no description available]low00aromatic ketone
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinone[no description available]low00aromatic ketone
7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone[no description available]low00aromatic ketone
(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-(2-chlorophenyl)methanone[no description available]low00aromatic ketone
1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone[no description available]low00aromatic ketone
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one[no description available]low00aromatic ketone
N-[1-(4-methyl-6-oxo-1-pyrimidinyl)-2-oxo-2-phenylethyl]benzamide[no description available]low00aromatic ketone
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide[no description available]low00aromatic ketone
4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid[no description available]low00aromatic ketone
(2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone[no description available]low00aromatic ketone
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone[no description available]low00aromatic ketone
cid 2858522[no description available]low00aromatic ketone
1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone[no description available]low00aromatic ketone
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone[no description available]low00aromatic ketone
(3-amino-5-nitro-2-benzofuranyl)-phenylmethanone[no description available]low00aromatic ketone
2-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester[no description available]low00aromatic ketone
3-hydroxy-3-[2-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]-1H-indol-2-one[no description available]low00aromatic ketone
1-[4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone[no description available]low00aromatic ketone
1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone[no description available]low00aromatic ketone
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamide[no description available]low00aromatic ketone
(2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone[no description available]low00aromatic ketone
3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00aromatic ketone
[2-[(2,6-dimethyl-4-morpholinyl)-oxomethyl]phenyl]-(1H-imidazol-2-yl)methanone[no description available]low00aromatic ketone
3-(2-furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile[no description available]low00aromatic ketone
1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone[no description available]low00aromatic ketone
timiperone[no description available]low00aromatic ketone
adefovir[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone[no description available]low00aromatic ketone
N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone[no description available]low00aromatic ketone
2-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester[no description available]low00aromatic ketone
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide[no description available]low00aromatic ketone
1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone[no description available]low00aromatic ketone
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-furanylmethyl)-6,7-dimethoxyquinazoline-2,4-dione[no description available]low00aromatic ketone
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide[no description available]low00aromatic ketone
3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid[no description available]low00aromatic ketone
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one[no description available]low00aromatic ketone
4-[(4-acetyl-2-methoxyphenyl)methoxy]-3-methoxybenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester[no description available]low00aromatic ketone
N-(2-chloro-3-pyridinyl)-3-oxo-3-phenylpropanamide[no description available]low00aromatic ketone
5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone[no description available]low00aromatic ketone
2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester[no description available]low00aromatic ketone
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide[no description available]low00aromatic ketone
2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid methyl ester[no description available]low00aromatic ketone
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-nitrophenyl)-3-oxopropanamide[no description available]low00aromatic ketone
rs 102221[no description available]low00aromatic ketone
N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide[no description available]low00aromatic ketone
3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione[no description available]low00aromatic ketone
2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile[no description available]low00aromatic ketone
(4-chlorophenyl)-(7-methyl-3-imidazo[1,2-a]pyridinyl)methanone[no description available]low00aromatic ketone
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester[no description available]low00aromatic ketone
4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one[no description available]low00aromatic ketone
(4-benzoyl-1-methyl-3-pyrrolidinyl)-phenylmethanone[no description available]low00aromatic ketone
6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone[no description available]low00aromatic ketone
LY-310762[no description available]low00aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound		receptor modulator;
serotonergic antagonist
1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone[no description available]low00aromatic ketone
gr 103691[no description available]low00aromatic ketone
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester[no description available]low00aromatic ketone
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide[no description available]low00aromatic ketone
1-(4-chlorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]thio]ethanone[no description available]low00aromatic ketone
N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide[no description available]low00aromatic ketone
4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide[no description available]low00aromatic ketone
2-chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone[no description available]low00aromatic ketone
5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile[no description available]low00aromatic ketone
2-[(5-ethyl-2-thiophenyl)-oxomethyl]benzoic acid[no description available]low00aromatic ketone
3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester[no description available]low00aromatic ketone
rottlerin[no description available]low00aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
isoegomaketone[no description available]low00aromatic ketone
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
radicinin[no description available]low00aromatic ketone
oxyfedrine[no description available]low00aromatic ketone
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-one[no description available]low00aromatic ketone
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone[no description available]low00aromatic ketone
buflomedil hydrochloride[no description available]low00aromatic ketone
ciproxifan[no description available]low00aromatic ketone
4'-methyl-alpha-pyrrolidinopropiophenone[no description available]low00aromatic ketone
l-165041[no description available]low00aromatic ketone
N-(4-acetylphenyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide[no description available]low00aromatic ketone
N-[4-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]phenyl]acetamide[no description available]low00aromatic ketone
6-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one[no description available]low00aromatic ketone
2-(2-benzoyl-1-pyrrolyl)-N-methyl-N-(phenylmethyl)acetamide[no description available]low00aromatic ketone
ic 86621[no description available]low00aromatic ketone
scio-469[no description available]low00aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
am 694[no description available]low00aromatic ketone;
indoles;
organofluorine compound;
organoiodine compound;
synthetic cannabinoid		cannabinoid receptor agonist
fonsecinone a[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite
e 5555[no description available]low00aromatic ketone
cytosporone b[no description available]low00aromatic ketone
benzobicyclon[no description available]low00aromatic ketone;
carbobicyclic compound;
cyclic ketone;
monochlorobenzenes;
organic sulfide;
sulfone
tembotrione[no description available]low00aromatic ketone;
beta-triketone;
cyclic ketone;
ether;
monochlorobenzenes;
organofluorine compound;
sulfone		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide
y134 compound[no description available]low00aromatic ketone
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide[no description available]low00aromatic ketone
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone[no description available]low00aromatic ketone;
quinolines
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)[no description available]low00(trifluoromethyl)benzenes;
aromatic ketone;
beta-diketone;
cyclopropanes;
nitrile;
sulfone		agrochemical;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide
aflatoxin m1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester[no description available]low00aromatic ketone
(3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one[no description available]low00aromatic ketone
(3-propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone[no description available]low00aromatic ketone
[2-(methylthio)phenyl]-[1-[oxo(4-thiadiazolyl)methyl]-3-piperidinyl]methanone[no description available]low00aromatic ketone
2-(3,5-dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone[no description available]low00aromatic ketone
[1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone[no description available]low00aromatic ketone
[1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone[no description available]low00aromatic ketone
2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid[no description available]low00aromatic ketone
1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone[no description available]low00aromatic ketone;
catechols;
thiocyanates
(3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one[no description available]low00aromatic ketone
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide[no description available]low00aromatic ketone
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one[no description available]low00aromatic ketone
plx 4720[no description available]low00aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
lcl161[no description available]low001,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer
a-922500[no description available]low00aromatic ketone
marinopyrrole a[no description available]low00aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
plx4032[no description available]low00aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone[no description available]low00aromatic ketone;
thienopyrimidine
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
myrtucommulone a[no description available]low00aromatic ketone
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanone[no description available]low00aromatic ketone
[1-(cyclohexylmethyl)-3-piperidinyl]-(3,4-dimethoxyphenyl)methanone[no description available]low00aromatic ketone
yk 4-279[no description available]low00aromatic ketone
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone[no description available]low00aromatic ketone;
thienopyrimidine
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-one[no description available]low00aromatic ketone
mephedrone[no description available]low00amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-methylethcathinone[no description available]low00aromatic ketone
3,4-dimethylmethcathinone[no description available]low00aromatic ketone
pogostone[no description available]low00aromatic ketone
ilicicolin h[no description available]low00aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor
[4-amino-2-[2-methoxy-4-(4-methyl-1-piperazinyl)anilino]-5-thiazolyl]-(2,6-dichlorophenyl)methanone[no description available]low00aromatic ketone
biliatresone[no description available]low00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
myxopyronin b[no description available]low00aromatic ketone
N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamide[no description available]low00aromatic ketone
6-amino-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one[no description available]low00aromatic ketone
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester[no description available]low00aromatic ketone
nbi 31772[no description available]low00aromatic ketone;
benzenediols;
hydroxy monocarboxylic acid;
isoquinolines;
tetrol		insulin-like growth factor-binding protein inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Confusional Senile Dementia0low40
Acute Disease0medium31
Acute Liver Injury, Drug-Induced0low10
Acute Onset Vascular Dementia0low10
Acute Porphyria0low10
Adverse Drug Event0low10
Adverse Drug Reaction0low10
Aggression0medium64
Agitation, Psychomotor0medium42
Akathisia0medium42
Alcohol Abuse0medium22
Alcohol Addiction0medium22
Alcohol Dependence0medium22
Alcohol Drinking0low10
Alcohol Use Disorder0medium22
Alcoholic Intoxication, Chronic0medium22
Alcoholism0medium22
Alzheimer Dementia0low40
Alzheimer Disease0low40
Alzheimer Disease, Early Onset0low40
Alzheimer Disease, Late Onset0low40
Alzheimer Sclerosis0low40
Alzheimer Syndrome0low40
Alzheimer Type Senile Dementia0low40
Alzheimer-Type Dementia (ATD)0low40
Alzheimer's Disease0low40
Alzheimer's Disease, Focal Onset0low40
Alzheimer's Diseases0low40
Amentia0medium21
Anasarca0medium11
Anemia, Fanconi0low10
Anxiety Disorders0medium32
Anxiety Neuroses0medium32
Anxiety States, Neurotic0medium32
Arrhythmia0medium31
Arrhythmias, Cardiac0medium31
Arrythmia0medium31
Arteriosclerotic Dementia0low10
Arteriosclerotic Encephalopathy, Subcortical0low10
Asialia0medium11
Aura0low10
Autotomy Human0medium11
Awakening Epilepsy0low10
Behavior Disorders0medium52
Bewilderment0low10
Binswanger Disease0low10
Binswanger Encephalopathy0low10
Binswanger's Disease0low10
Blood Pressure, Low0medium11
Body Weight0low10
Cancer Pain0low10
Cancer-Associated Pain0low10
Cancer-Related Pain0low10
Cardiac Arrhythmia0medium31
Cardiac Arrhythmias0medium31
Cardiac Dysrhythmia0medium31
Cardiovascular Stroke0medium11
Central Nervous System Origin Vertigo0medium11
Chemical and Drug Induced Liver Injury0low10
Chemical Dependence0low10
Chemically-Induced Liver Toxicity0low10
Chronic Progressive Subcortical Encephalopathy0low10
Clerambault Syndrome0low20
CNS Origin Vertigo0medium11
Confusion0low10
Confusion, Post-Ictal0low10
Confusion, Reactive0low10
Confusional State0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Coronary Disease0low10
Coronary Heart Disease0low10
Day Blindness0low10
Deficiency, Mental0medium21
Delirium0low10
Delirium of Mixed Origin0low10
Delirium, Dementia, Amnestic, Cognitive Disorders0low20
Dementia Praecox0medium126
Dementia, Alzheimer Type0low40
Dementia, Presenile0low40
Dementia, Primary Senile Degenerative0low40
Dementia, Senile0low40
Dementia, Vascular0low10
Depression0medium11
Depression, Endogenous0low10
Depression, Neurotic0low10
Depression, Unipolar0low10
Depressive Syndrome0low10
Developmental Psychomotor Disorders0low20
Diagnosis, Psychiatric0medium52
Disability, Intellectual0medium21
Disease Models, Animal0low10
Disorientation0low10
Dizziness0low10
Dizzyness0low10
Drooling0low10
Dropsy0medium11
Drug Abuse0low10
Drug Addiction0low10
Drug Dependence0low10
Drug Habituation0low10
Drug Side Effects0low10
Drug Toxicity0low10
Drug Use Disorders0low10
Drug Withdrawal Symptoms0medium33
Drug-Induced Acute Liver Injury0low10
Drug-Induced Liver Disease0low10
Drug-Induced Liver Injury0low10
Drug-Related Side Effects and Adverse Reactions0low10
Dyskinesia, Drug-Induced0medium31
Dyskinesia, Medication-Induced0medium31
Early Onset Alzheimer Disease0low40
Edema0medium11
Edema Disease of Swine0medium11
Encephalopathy, Binswanger0low10
Encephalopathy, Binswanger's0low10
Encephalopathy, Chronic Progressive Subcortical0low10
Encephalopathy, Subcortical Arteriosclerotic0low10
Encephalopathy, Subcortical, Chronic Progressive0low10
Epilepsy0low10
Epilepsy, Cryptogenic0low10
Ethanol Abuse0medium22
Excitement, Psychomotor0medium42
Eye Manifestations0low10
Familial Alzheimer Disease (FAD)0low40
Familial Dementia0medium21
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fever, Zika0low10
Focal Onset Alzheimer's Disease0low40
Hallucination of Body Sensation0low10
Hallucinations0low10
Hallucinations, Auditory0low10
Hallucinations, Dissociative0low10
Hallucinations, Elementary0low10
Hallucinations, Formed, of People0low10
Hallucinations, Gustatory0low10
Hallucinations, Hypnagogic0low10
Hallucinations, Hypnapompic0low10
Hallucinations, Internal Body Sensation0low10
Hallucinations, Kinesthetic0low10
Hallucinations, Mood Congruent0low10
Hallucinations, Mood Incongruent0low10
Hallucinations, Olfactory0low10
Hallucinations, Organic0low10
Hallucinations, Reflex0low10
Hallucinations, Sensory0low10
Hallucinations, Somatic0low10
Hallucinations, Tactile0low10
Hallucinations, Verbal Auditory0low10
Hallucinations, Visual0low10
Hallucinations, Visual, Formed0low10
Hallucinations, Visual, Unformed0low10
Heart Attack0medium11
Hemeralopia0low10
Hepatitis, Drug-Induced0low10
Hepatitis, Toxic0low10
Hydrops0medium11
Hydroxymethylbilane Synthase Deficiency0low10
Hyperprolactinaemia0low10
Hyperprolactinemia0low10
Hypersalivation0low10
Hyponatremia0medium11
Hyposalivation0medium11
Hypotension0medium11
Hypotension, Orthostatic0medium11
Hypotension, Postural0medium11
Hypotension, Vascular0medium11
Idiocy0medium21
Idiopathic Parkinson Disease0medium11
Idiopathic Parkinson's Disease0medium11
Inadequate Sleep0low10
Inappropriate Prolactin Secretion0low10
Inappropriate Prolactin Secretion Syndrome0low10
Insufficient Sleep0low10
Insufficient Sleep Syndrome0low10
Intellectual Development Disorder0medium21
Intellectual Disability0medium21
Kandinsky Syndrome0low20
Late Onset Alzheimer Disease0low40
Leukoencephalopathy, Subcortical0low10
Lewy Body Parkinson Disease0medium11
Lewy Body Parkinson's Disease0medium11
Light-Headedness0low10
Lightheadedness0low10
Liver Injury, Drug-Induced0low10
Liver Injury, Drug-Induced, Acute0low10
Long Sleeper Syndrome0low10
Low Blood Pressure0medium11
Macropsia0low10
Medication-Induced Dyskinesia0medium31
Melancholia0low10
Mental Deficiency0medium21
Mental Disorders0medium52
Mental Disorders, Organic0low20
Mental Disorders, Severe0medium52
Mental Illness0medium52
Mental Retardation0medium21
Mental Retardation, Psychosocial0medium21
Metamorphopsia0low10
Micropsia0low10
Mouth Dryness0medium11
Myocardial Infarct0medium11
Myocardial Infarction0medium11
Neoplasm-Associated Pain0low10
Neoplasm-Related Pain0low10
Neurocognitive Disorders0low20
Neuroses, Anxiety0medium32
Neurosis, Depressive0low10
Nonpsychotic Organic Brain Syndrome0low20
Oncological Pain0low10
Oncology Pain0low10
Organic Brain Syndrome, Nonpsychotic0low20
Organic Mental Disorders0low20
Organic Mental Disorders, Psychotic0low20
Organic Mental Disorders, Substance-Induced0low10
Orthostasis0low10
Orthostatic Hypotension0medium11
Pain, Intractable0low10
Paralysis Agitans0medium11
Paranoia0low10
Paranoid Disorders0low10
Paranoid Psychoses0low10
Parkinson Disease0medium11
Parkinson Disease, Idiopathic0medium11
Parkinson's Disease0medium11
Parkinson's Disease, Idiopathic0medium11
Parkinson's Disease, Lewy Body0medium11
PBGD Deficiency0low10
Porphobilinogen Deaminase Deficiency0low10
Porphyria, Acute Intermittent0low10
Porphyria, Swedish Type0low10
Positional Vertigo0medium11
Prescription Drug Abuse0low10
Presenile Alzheimer Dementia0low40
Primary Parkinsonism0medium11
Primary Senile Degenerative Dementia0low40
Prolactin Hypersecretion Syndrome0low10
Prolactin, Inappropriate Secretion0low10
Psychiatric Diagnosis0medium52
Psychiatric Diseases0medium52
Psychiatric Disorders0medium52
Psychiatric Illness0medium52
Psychomotor Agitation0medium42
Psychomotor Disorders0low20
Psychomotor Disorders, Developmental0low20
Psychomotor Hyperactivity0medium42
Psychomotor Impairment0low20
Psychomotor Restlessness0medium42
Psychoses0medium52
Psychoses, Paranoid0low10
Psychoses, Traumatic0low20
Psychosis0medium52
Psychosis, Brief Reactive0medium52
Refractory Pain0low10
REM Sleep Deprivation0low10
Restlessness0medium42
Retardation, Mental0medium21
Schizoaffective Disorder0medium52
Schizophrenic Disorders0medium126
Schizophreniform Disorders0medium52
Seizure Disorder0low10
Self Mutilating Behavior0medium11
Self Mutilation0medium11
Senile Dementia, Acute Confusional0low40
Senile Dementia, Alzheimer Type0low40
Senile Paranoid Dementia0medium21
Serotonin Syndrome0low10
Short Sleep Phenotype0low10
Short Sleeper Syndrome0low10
Sialorrhea0low10
Side Effects of Drugs0low10
Sleep Debt0low10
Sleep Deprivation0low10
Sleep Disorders0low10
Sleep Fragmentation0low10
Sleep Insufficiency0low10
Sleep Wake Disorders0low10
Sleep-Related Neurogenic Tachypnea0low10
Spinning Sensation0medium11
Subacute Delirium0low10
Subcortical Arteriosclerotic Encephalopathy0low10
Subcortical Encephalopathy, Chronic Progressive0low10
Subcortical Leukoencephalopathy0low10
Subcortical Vascular Dementia0low10
Substance Abuse0low10
Substance Addiction0low10
Substance Dependence0low10
Substance Use0low10
Substance Use Disorders0low10
Substance Withdrawal Syndrome0medium33
Substance-Related Disorders0low10
Subwakefullness Syndrome0low10
Swine Diseases0medium11
Symptom Cluster0low10
Syndrome0low10
Tachyarrhythmia0low10
Tachycardia0low10
Toxic Hepatitis0low10
Toxicity, Drug0low10
Tumor-Associated Pain0low10
Tumor-Related Pain0low10
Unipolar Depression0low10
UPS Deficiency0low10
Uroporphyrinogen Synthase Deficiency0low10
Vascular Dementia0low10
Vascular Dementia, Acute Onset0low10
Vascular Hypotension0medium11
Vertigo0medium11
Vertigo, Brain Stem0medium11
Vertigo, Brainstem0medium11
Vertigo, Central Nervous System Origin0medium11
Vertigo, Central Origin0medium11
Vertigo, Constant0medium11
Vertigo, Essential0medium11
Vertigo, Intermittant0medium11
Vertigo, Paroxysmal0medium11
Vertigo, Peripheral0medium11
Vertigo, Subjective0medium11
Vision Disability0low10
Vision Disorders0low10
Visual Disorders0low10
Visual Impairment0low10
Water-Electrolyte Imbalance0medium11
Withdrawal Symptoms0medium33
Xerostomia0medium11
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
Additional studies on side effects of melperone in long-term therapy for 1 to 15 years in psychiatric patients.
Arzneimittel-Forschung, Volume: 31, Issue: 4		1981
Additional studies on side effects of melperone in long-term therapy for 1-20 years in psychiatric patients.
Arzneimittel-Forschung, Volume: 36, Issue: 5		1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (2)

ArticleYear
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7		2008
Pharmacokinetics of parenteral and oral melperone in man.
European journal of clinical pharmacology, Volume: 23, Issue: 2		1982
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (4)

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
Pharmacokinetics of parenteral and oral melperone in man.
European journal of clinical pharmacology, Volume: 23, Issue: 2		1982
Quantitative analysis of melperone in human plasma by gas chromatography--mass spectrometry--selected ion monitoring.
Journal of chromatography, May-13, Volume: 274		1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (5)

ArticleYear
Development of orally disintegrating tablets comprising controlled-release multiparticulate beads.
Drug development and industrial pharmacy, Volume: 38, Issue: 12		2012
Pharmacokinetics of parenteral and oral melperone in man.
European journal of clinical pharmacology, Volume: 23, Issue: 2		1982
Additional studies on side effects of melperone in long-term therapy for 1-20 years in psychiatric patients.
Arzneimittel-Forschung, Volume: 36, Issue: 5		1986
Melperone: electrophysiologic and antiarrhythmic activity in humans.
Journal of cardiovascular pharmacology, Volume: 15, Issue: 1		1990
Zuclopenthixol, melperone and haloperidol/levomepromazine in the elderly. Meta-analysis of two double-blind trials at 15 nursing homes in Norway.
Current medical research and opinion, Volume: 12, Issue: 10		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (2)

ArticleYear
Atypical and typical antipsychotic drug interactions with the dopamine D2 receptor.
European journal of medicinal chemistry, Volume: 40, Issue: 2		2005
Classification of cardioactive drugs in vivo by using programmed electrical stimulation in combination with monophasic action potential recordings at different pacing rates.
Acta medica Scandinavica. Supplementum, Volume: 645		1981
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]