Compounds > trimetozine
Page last updated: 2024-09-21

trimetozine

Cross-References

ID SourceID
PubMed CID12478
CHEMBL ID1697853
CHEBI ID92927
SCHEMBL ID114786
MeSH IDM0047622

Synonyms (109)

Synonym
unii-31ept7g9pl
trimetozinum
31ept7g9pl ,
OPREA1_625609
morpholine, 4-(3,4,5-trimethoxybenzoyl)-
morpholino-(3,4,5-trimethoxyphenyl)methanone
n-(3,4,5-trimethoxybenzoyl)-morpholino
KBIO1_001399
DIVK1C_006455
4-{[3,4,5-tris(methyloxy)phenyl]carbonyl}morpholine
AE-641/02482028
4-(3,4,5-trimethoxybenzoyl)morpholine
trimetozine [usan:inn]
trioxyfar
trimetozina [inn-spanish]
n-(3,4,5-trimethoxybenzoyl)tetrahydro-1,4-oxazine
4-(3,4,5-trimethoxybenzoyl)tetrahydro-1,4-oxazine
trimetozinum [inn-latin]
n-(3,4,5-trimethoxybenzoyl)morpholine
nsc 62939
brn 1085184
einecs 211-236-0
3,4,5-trimethoxybenzoyl-n-tetrahydroxazine
3,5-trimethoxybenzoyl-n-tetrahydroxazine
n-(3,5-trimethoxybenzoyl)morpholine
trioxazine
sedoxazine
nsc62939
4-(3,5-trimethoxybenzoyl)tetrahydro-1,4-oxazine
morpholine,4,5-trimethoxybenzoyl)-
trimethoxazine
ps-2383
635-41-6
tx
ps 2383
triksazin
nsc-62939
trimetozin
trifenoxazin
trimetogine
wln: t6n dotj avr co1 do1 eo1
trioxazin
a 22370
n-(3,5-trimethoxybenzoyl)tetrahydro-1,4-oxazine
trimetozina
4-(3,5-trimethoxybenzoyl)morpholine
trimetozine
v 7
opalene
lg 50043
abbott-22370
SPECTRUM_001594
D06237
trimetozine (usan/inn)
OPREA1_784655
NCGC00159396-02
NCGC00159396-03
KBIO2_002074
KBIO2_007210
KBIOSS_002074
KBIO2_004642
NCIOPEN2_003363
SPECPLUS_000359
SPECTRUM5_001694
HMS2093C14
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
AKOS000630263
NCGC00159396-04
CHEMBL1697853
trimolide
morpholin-4-yl 3,4,5-trimethoxyphenyl ketone
cas-635-41-6
dtxsid8023713 ,
tox21_111634
dtxcid203713
tox21_111635
pharmakon1600-01504214
nsc-758689
nsc758689
FT-0616570
BRD-K53220666-001-01-8
CCG-213282
SCHEMBL114786
4-(3,4,5-trimethoxybenzoyl)-morpholine
tox21_111634_1
n-(3,4,5trimethoxybenzoyl)-morpholine
trimetozine [inn]
trimetozine [mart.]
trimetozine [usan]
trimetozine [who-dd]
trimetozine [mi]
methanone, 4-morpholinyl(3,4,5-trimethoxyphenyl)-
3,4,5-trimethoxy-n-benzoyltetrahydroxazine
AB00275229_02
J-522724
morpholino(3,4,5-trimethoxyphenyl)methanone
SR-05000001892-1
sr-05000001892
4-morpholinyl-(3,4,5-trimethoxyphenyl)methanone
CHEBI:92927
SBI-0052916.P002
HMS3714C16
STL506099
morpholin-4-yl(3,4,5-trimethoxyphenyl)methanone
Z28251506
Q844489
CS-0013077
HY-B1316
EN300-6492982

Drug Classes (1)

ClassDescription
morpholinesAny compound containing morpholine as part of its structure.
[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 (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
estrogen receptor 2 (ER beta)Homo sapiens (human)Potency16.78550.000657.913322,387.1992AID1259377
[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)
Bile salt export pumpHomo sapiens (human)IC50 (µMol)1,000.00000.11007.190310.0000AID1449628
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (22)

Processvia Protein(s)Taxonomy
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (37)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
AID588220Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset2008Toxicology mechanisms and methods, , Volume: 18, Issue:2-3
Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID1449628Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method2012Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12
Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
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 (29)

TimeframeStudies, This Drug (%)All Drugs %
pre-199015 (51.72)18.7374
1990's1 (3.45)18.2507
2000's1 (3.45)29.6817
2010's6 (20.69)24.3611
2020's6 (20.69)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 (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (3.23%)4.05%
Observational0 (0.00%)0.25%
Other30 (96.77%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
adenine[no description available]medium206-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
quinacrine[no description available]medium20acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzyl alcohol[no description available]medium10benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
betaine[no description available]medium20amino-acid betaine;
glycine derivative		fundamental metabolite
lactic acid[no description available]medium102-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
glycine[no description available]medium10alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol[no description available]medium10alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
alpha-glycerophosphoric acid[no description available]medium10glycerol monophosphatealgal metabolite;
human metabolite
histamine[no description available]medium20aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
inositol[no description available]medium10cyclitol;
hexol
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
succinic acid[no description available]medium10alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective 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
methacholine[no description available]medium10acetate ester;
quaternary ammonium ion		bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
amantadine[no description available]medium20adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxol[no description available]medium10aromatic amine
aminoglutethimide[no description available]medium20dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
amiodarone[no description available]medium201-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium10carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
antazoline[no description available]medium20aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
barbital[no description available]medium10barbituratesdrug allergen
bendroflumethiazide[no description available]medium20benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzamide[no description available]medium10benzamides
benzquinamide[no description available]medium10monocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
bepridil[no description available]medium20pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
bethanidine[no description available]medium10guanidinesadrenergic antagonist;
antihypertensive agent
betaxolol[no description available]medium20propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisacodyl[no description available]medium20diarylmethane
bromhexine[no description available]medium20organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bunitrolol[no description available]medium10aromatic ether
bupranolol[no description available]medium10aromatic ether
buspirone[no description available]medium20azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
butalbital[no description available]medium10barbituratesanalgesic;
sedative
caffeine[no description available]medium20purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
metrizoate[no description available]medium10monocarboxylic acidradioopaque medium
carbamazepine[no description available]medium20dibenzoazepine;
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
carbazochrome[no description available]medium10
carbinoxamine[no description available]medium20monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
chlorcyclizine[no description available]medium10diarylmethane
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chloroxine[no description available]medium10monohydroxyquinoline;
organochlorine compound		antibacterial agent;
antifungal drug;
antiseborrheic
chlorpromazine[no description available]medium30organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
cimetidine[no description available]medium20aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clomipramine[no description available]medium20dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonidine[no description available]medium10clonidine;
imidazoline
cyclandelate[no description available]medium20carboxylic ester;
secondary alcohol		vasodilator agent
cyclofenil[no description available]medium10organic molecular entity
debrisoquin[no description available]medium20carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
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
amphetamine[no description available]medium10primary amine
diazepam[no description available]medium501,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
dichlorphenamide[no description available]medium20dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
diphenidol[no description available]medium10benzenes;
piperidines;
tertiary alcohol		antiemetic
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
valproic acid[no description available]medium20branched-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
doxylamine[no description available]medium20pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
dyphylline[no description available]medium20oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
profenamine[no description available]medium20phenothiazines;
tertiary amino compound		adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
ethyl loflazepate[no description available]medium10organic molecular entity
etizolam[no description available]medium10organic molecular entity
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
fenfluramine[no description available]medium10(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fenoprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
berotek[no description available]medium20resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
flavoxate[no description available]medium10carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium20(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
fluphenazine depot[no description available]medium10decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
fluphenazine enanthate[no description available]medium10phenothiazines
flurazepam[no description available]medium101,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
flutazolam[no description available]medium10hemiaminal ether;
organic molecular entity
furosemide[no description available]medium20chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
gliclazide[no description available]medium20N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
guanethidine[no description available]medium20azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
haloperidol[no description available]medium20aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
hexylresorcinol[no description available]medium10resorcinols
homochlorocyclizine[no description available]medium10diarylmethane
hydralazine[no description available]medium20azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydroflumethiazide[no description available]medium20benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
hydroxyzine[no description available]medium20hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iodamide[no description available]medium10benzoic acids;
organoiodine compound		radioopaque medium
iothalamic acid[no description available]medium10organic molecular entity
iodipamide[no description available]medium10benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
isoniazid[no description available]medium20carbohydrazideantitubercular agent;
drug allergen
isopropamide iodide[no description available]medium10diarylmethane
isoxsuprine[no description available]medium20alkylbenzene
ketoconazole[no description available]medium20dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketotifen[no description available]medium20cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
labetalol[no description available]medium20benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
leflunomide[no description available]medium20(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
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
lorazepam[no description available]medium10benzodiazepine
loxapine[no description available]medium10dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline[no description available]medium10anthracenes
memantine[no description available]medium20adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
metformin[no description available]medium20guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methapyrilene[no description available]medium20ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methocarbamol[no description available]medium20aromatic ether;
carbamate ester;
secondary alcohol
methyprylon[no description available]medium10organic molecular entity
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium20aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium20dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
midazolam[no description available]medium10imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
modafinil[no description available]medium10monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium10monoterpenoid
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone[no description available]medium20aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nomifensine[no description available]medium20isoquinolinesdopamine uptake inhibitor
nortriptyline[no description available]medium10organic 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]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxolinic acid[no description available]medium10aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
pargyline[no description available]medium20aromatic amine
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium10oxopurine
perhexiline[no description available]medium20piperidinescardiovascular drug
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacemide[no description available]medium20acetamides
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
pheniramine[no description available]medium10pyridines;
tertiary amino compound
phenobarbital[no description available]medium20barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium10phenols
phentermine[no description available]medium10primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pyranoprofen[no description available]medium10pyridochromene
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
proglumide[no description available]medium10benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
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]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propiomazine[no description available]medium10aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
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
protriptyline[no description available]medium20carbotricyclic compoundantidepressant
proxyphylline[no description available]medium10oxopurine
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rofecoxib[no description available]medium20butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicylsalicylic acid[no description available]medium20benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
secobarbital[no description available]medium10barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
ipodate[no description available]medium10
sotalol[no description available]medium10ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
succinylcholine[no description available]medium10quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
sulfadimethoxine[no description available]medium20aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
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
sulfobromophthalein[no description available]medium102-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
sumatriptan[no description available]medium10sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
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
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
thalidomide[no description available]medium20phthalimides;
piperidones
thioridazine[no description available]medium20phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tiaramide[no description available]medium10benzothiazoles
ticlopidine[no description available]medium20monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
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
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium10benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolperisone[no description available]medium10aromatic ketone
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
trifluperidol[no description available]medium20aromatic ketone
trimebutine[no description available]medium20trihydroxybenzoic acid
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
tripelennamine[no description available]medium10aromatic amine
troglitazone[no description available]medium20chromanes;
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
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
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
lysergic acid diethylamide[no description available]medium10ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
phentolamine[no description available]medium20imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
cyclobarbital[no description available]medium10barbiturates
norethandrolone[no description available]medium10corticosteroid hormone
oxandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
chloramphenicol[no description available]medium20C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
ethinyl estradiol[no description available]medium2017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
cysteamine[no description available]medium20amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
leucine[no description available]medium10amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
gallamine triethiodide[no description available]medium10
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
4-hydroxypropiophenone[no description available]medium10acetophenones
methandrostenolone[no description available]medium10organic molecular entity
quinethazone[no description available]medium10quinazolinesantihypertensive agent;
diuretic
tribromoethanol[no description available]medium10alcohol;
organobromine compound
mepenzolate bromide[no description available]medium20diarylmethane
carbromal[no description available]medium10N-acylurea
triparanol[no description available]medium10stilbenoidanticoronaviral agent
pantothenic acid[no description available]medium20pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
cyclizine[no description available]medium10N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
buclizine[no description available]medium10monochlorobenzenes;
N-alkylpiperazine		antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic
thiopropazate[no description available]medium10acetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
acetrizoic acid[no description available]medium10aminobenzoic acid
penicillin v[no description available]medium10penicillin allergen;
penicillin
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
propylparaben[no description available]medium10benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
methylparaben[no description available]medium10parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
estradiol dipropionate[no description available]medium10steroid ester
paramethadione[no description available]medium10oxazolidinoneanticonvulsant
framycetin[no description available]medium10aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
anileridine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
substituted aniline		opioid analgesic;
opioid receptor agonist
ditiocarb[no description available]medium20dithiocarbamic acidschelator;
copper chelator
sulfalene[no description available]medium10pyrazines;
sulfonamide antibiotic;
sulfonamide
propantheline bromide[no description available]medium20xanthenes
ephedrine[no description available]medium10phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
norchlorcyclizine[no description available]medium10
evans blue[no description available]medium10organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
opipramol[no description available]medium10dibenzoazepine
carbutamide[no description available]medium10benzenes;
sulfonamide
glymidine[no description available]medium10diether;
pyrimidines;
sulfonamide		hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine[no description available]medium10aromatic amine
prenylamine[no description available]medium10diarylmethane
nandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid		human metabolite
thiazolidine-4-carboxylic acid[no description available]medium10alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid		antidote;
antioxidant;
hepatoprotective agent
chlorphentermine[no description available]medium10amphetamines
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
lucanthone[no description available]medium10thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
dichloralantipyrine[no description available]medium10
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
dihydralazine[no description available]medium20phthalazines
methallenestril[no description available]medium10naphthalenes
androstenediol[no description available]medium1017beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent
levocarnitine[no description available]medium10carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
decamethonium dibromide[no description available]medium10
thiphenamil[no description available]medium10diarylmethane
metahexamide[no description available]medium10benzenes;
sulfonamide
phenindamine[no description available]medium10indene
2-amino-2-methyl-1-propanol[no description available]medium10
phendimetrazine[no description available]medium10
erythromycin[no description available]medium10cyclic ketone;
erythromycin
butaperazine[no description available]medium10phenothiazines
vinblastine[no description available]medium10
oxolamine[no description available]medium10oxadiazole;
ring assembly
ethylestrenol[no description available]medium1017beta-hydroxy steroid;
tertiary alcohol		anabolic agent
dehydroepiandrosterone acetate[no description available]medium10steroid ester
metaxalone[no description available]medium10aromatic ether
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
paraquat[no description available]medium10organic cationgeroprotector;
herbicide
clothiapine[no description available]medium10dibenzothiazepine
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
sulfadoxine[no description available]medium20pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acetophenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
cephaloglycin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antimicrobial agent
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
noxiptilin[no description available]medium10organic tricyclic compound
benorilate[no description available]medium10carbonyl compound
metocurine[no description available]medium10isoquinolines
floxacillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
clomacran[no description available]medium10acridines
iprindole[no description available]medium10indoles
isometheptene[no description available]medium10secondary amino compound
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
molindone[no description available]medium10indoles
hexocyclium[no description available]medium10amine
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
clortermine[no description available]medium10amphetamines
nicofuranose[no description available]medium10organooxygen compound
apazone[no description available]medium10benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
cloforex[no description available]medium10amphetamines
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium206-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
clobutinol[no description available]medium10benzenes;
organic amino compound
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
razoxane[no description available]medium10N-alkylpiperazine
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
proquazone[no description available]medium10pyrimidines
halazepam[no description available]medium10organic molecular entity
ripazepam[no description available]medium10benzenes
amoxicillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
indoramin[no description available]medium20tryptamines
moricizine[no description available]medium10carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
feprazone[no description available]medium10organic molecular entity
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
halofantrine[no description available]medium10phenanthrenes
etidocaine[no description available]medium10amino acid amidelocal anaesthetic
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
methyldopa[no description available]medium20L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
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
prenalterol[no description available]medium10aromatic ether
lorcainide[no description available]medium10acetamides
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
pergolide[no description available]medium10diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
doxofylline[no description available]medium10oxopurineanti-asthmatic drug;
antitussive;
bronchodilator agent
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]medium10
quinapril[no description available]medium20dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
ceftezole[no description available]medium10cephalosporin;
thiadiazoles
hexestrol bis(diethylaminoethyl ether)[no description available]medium10stilbenoid
disobutamide[no description available]medium10acetamides
sertraline[no description available]medium20dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
clociguanil[no description available]medium10
lividomycin[no description available]medium10lividomycinsmetabolite
gentamicin c1[no description available]medium10
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide[no description available]medium10
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
moexipril[no description available]medium10peptide
sennoside B[no description available]medium10oxo dicarboxylic acid;
sennosides
dimethacrine[no description available]medium10acridines
perindopril[no description available]medium10alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydopamine[no description available]medium10catecholamine
tazobactam[no description available]medium10penicillanic acids;
triazoles		antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
xylose[no description available]medium10D-xylose
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
clofibride[no description available]medium10monocarboxylic acid
aminopterin[no description available]medium10dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
atropine[no description available]medium20
l 694,458[no description available]medium10
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
dromostanolone propionate[no description available]medium103-oxo-5alpha-steroid;
steroid ester		antineoplastic agent
phenethicillin[no description available]medium20penicillin allergen;
penicillin
bekanamycin[no description available]medium10kanamycins
strychnine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
netilmicin[no description available]medium10
hetacillin[no description available]medium10penicillinantibacterial drug
medigoxin[no description available]medium10cardenolide glycoside
betamethasone acetate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
clindamycin[no description available]medium10
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
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
dibekacin[no description available]medium10kanamycinsantibacterial agent;
protein synthesis inhibitor
riboflavin[no description available]medium10flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
flavin mononucleotide[no description available]medium10flavin mononucleotide;
vitamin B2		bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
mitobronitol[no description available]medium10alcohol;
organobromine compound
prednisolone hemisuccinate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
octotropine methylbromide[no description available]medium10
nsc 4347[no description available]medium10
etomidate[no description available]medium20ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
lobeline[no description available]medium10
thiothixene[no description available]medium20N-methylpiperazineanticoronaviral agent
benztropine[no description available]medium20diarylmethane
thiouracil[no description available]medium10nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
1,4-benzoquinone guanylhydrazone thiosemicarbazone[no description available]medium10
digoxin[no description available]medium20cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
tamoxifen[no description available]medium20stilbenoid;
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
zeranol[no description available]medium10macrolide
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
albutoin[no description available]medium10organonitrogen compound;
organooxygen compound
iodothiouracil[no description available]medium10organohalogen compound;
pyrimidines
tolcapone[no description available]medium202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
bilirubin[no description available]medium10biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
beta carotene[no description available]medium20carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ethchlorvynol[no description available]medium10
rokitamycin[no description available]medium10organic molecular entity
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
misoprostol[no description available]medium10
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
triprolidine[no description available]medium20N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
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
cloprednol[no description available]medium1021-hydroxy steroid
cyproterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist
estropipate[no description available]medium10piperazinium salt;
steroid sulfate
hydroxystilbamidine[no description available]medium10
levetiracetam[no description available]medium20pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
meprednisone[no description available]medium1021-hydroxy steroid
oxymorphone[no description available]medium10morphinane alkaloid
acepreval[no description available]medium10corticosteroid hormone
proscillaridin[no description available]medium10organic molecular entity
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
stilbamidine[no description available]medium10
butorphanol[no description available]medium10morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
zimeldine[no description available]medium20styrenes
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
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
nitrofurantoin[no description available]medium20imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
fosinopril[no description available]medium10
abt-770[no description available]medium10
9-n-(1-propyl)erythromyclamine[no description available]medium10
azacosterol[no description available]medium10
homatropine methylbromide[no description available]medium10
vindesine[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium10
chlortetracycline[no description available]medium10
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
bephenium hydroxynaphthoate[no description available]medium10
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
folic acid[no description available]medium20folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
viomycin[no description available]medium10heterodetic cyclic peptide;
peptide antibiotic		antitubercular agent
clozapine[no description available]medium20benzodiazepine;
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
olanzapine[no description available]medium20benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
guaiacol[no description available]medium10guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
acetanilide[no description available]medium10acetamides;
anilide		analgesic
pyridoxine[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
enprofylline[no description available]medium10oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
oxyquinoline[no description available]medium10monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrine[no description available]medium10acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetarsol[no description available]medium10acetamides;
anilide
ethacridine[no description available]medium10acridines
4-(acetylamino)benzeneacetic acid[no description available]medium10acetamides;
anilide
adiphenine[no description available]medium10diarylmethane
aklomide[no description available]medium10carbonyl compound;
organohalogen compound
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
altretamine[no description available]medium10triamino-1,3,5-triazine
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amodiaquine[no description available]medium10aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
amprolium[no description available]medium10pyridinium ioncoccidiostat
antipyrine[no description available]medium10pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol[no description available]medium10aporphine alkaloid
arecoline[no description available]medium10enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
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
benserazide[no description available]medium10carbohydrazide;
catechols;
primary alcohol;
primary amino compound		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzocaine[no description available]medium10benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
benzothiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
bethanechol[no description available]medium10carbamate ester;
quaternary ammonium ion		muscarinic agonist
bretylium[no description available]medium10quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
seratrodast[no description available]medium10organic molecular entity
bumetanide[no description available]medium10amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butacaine[no description available]medium10benzoate ester
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
carbamylcholine[no description available]medium10
carteolol[no description available]medium10quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
aricine[no description available]medium10cinchona alkaloid
ciprofloxacin[no description available]medium10aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquin[no description available]medium10organochlorine compound;
quinolines
cromolyn[no description available]medium10chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker
cyclobenzaprine[no description available]medium10carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dibenzothiophene[no description available]medium10dibenzothiophenes;
mancude organic heterotricyclic parent		keratolytic drug
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
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
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
dilacor xr[no description available]medium10acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
dimethadione[no description available]medium10oxazolidinone
diphenylpyraline[no description available]medium10piperidines;
tertiary amine		cholinergic antagonist;
H1-receptor antagonist
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
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dyclonine[no description available]medium10aromatic ketone;
piperidines		topical anaesthetic
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
econazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glafenine[no description available]medium10aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
glimepiride[no description available]medium10sulfonamide
glyburide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
guaifenesin[no description available]medium10methoxybenzenes
hexoprenaline[no description available]medium10
hexamethylene bisacetamide[no description available]medium10acetamides
hycanthone[no description available]medium10thioxanthenesmutagen;
schistosomicide drug
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium10aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iodoquinol[no description available]medium10monohydroxyquinoline;
organoiodine compound		antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
iproniazid[no description available]medium10carbohydrazide;
pyridines
isoetharine[no description available]medium10catecholamine
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
ly 171883[no description available]medium10acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
meclofenamic acid[no description available]medium10aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mephenesin[no description available]medium10aromatic ether;
glycerol ether
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
benzoic acid [2-methyl-2-(propylamino)propyl] ester[no description available]medium10benzoate ester
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mitotane[no description available]medium10diarylmethane
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
nadolol[no description available]medium10tetralins
nafronyl[no description available]medium10naphthalenes
naftopidil[no description available]medium10piperazines
naphazoline[no description available]medium10naphthalenes
neostigmine[no description available]medium10quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nilvadipine[no description available]medium10dihydropyridine;
isopropyl ester;
methyl ester;
nitrile
nitromide[no description available]medium10
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one[no description available]medium10isoquinolines
nylidrin[no description available]medium10alkylbenzene
orphenadrine[no description available]medium10ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxethazaine[no description available]medium10amino acid amide
oxibendazole[no description available]medium10benzimidazoles;
carbamate ester
oxprenolol[no description available]medium10aromatic ether
benoxinate[no description available]medium10amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pentamidine[no description available]medium10aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate[no description available]medium10pyrroloindole
pinacidil[no description available]medium10pyridines
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
pirenzepine[no description available]medium10pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
piretanide[no description available]medium10aromatic ether
practolol[no description available]medium10acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
duodote[no description available]medium10pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
praziquantel[no description available]medium10isoquinolines
prazosin[no description available]medium10aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
proadifen[no description available]medium10diarylmethane
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procaine[no description available]medium10benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
propafenone[no description available]medium10aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
pyrilamine[no description available]medium10aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
riluzole[no description available]medium10benzothiazoles
risperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
roxarsone[no description available]medium102-nitrophenols;
organoarsonic acid		agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sulfadiazine[no description available]medium10pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
spiperone[no description available]medium10aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
succinylsulfathiazole[no description available]medium101,3-thiazoles
sulfacetamide[no description available]medium10N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfamethazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
telenzepine[no description available]medium10benzodiazepine
terfenadine[no description available]medium10diarylmethane
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
tetrahydroxy-1,4-quinone[no description available]medium10hydroxybenzoquinonekeratolytic drug
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
2-thiosalicylic acid[no description available]medium10sulfanylbenzoic acidantipyretic;
non-narcotic analgesic
thiotepa[no description available]medium10aziridines
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolazoline[no description available]medium10imidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
trapidil[no description available]medium10triazolopyrimidines
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
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimeprazine[no description available]medium10phenothiazines
trioxsalen[no description available]medium10psoralensdermatologic drug;
photosensitizing agent
tropicamide[no description available]medium10acetamides
tulobuterol[no description available]medium10organochlorine compound
urapidil[no description available]medium10piperazines
urethane[no description available]medium10carbamate esterfungal metabolite;
mutagen
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
xylometazoline[no description available]medium10alkylbenzene
prednisolone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
estriol[no description available]medium1016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
piperonyl butoxide[no description available]medium10benzodioxolespesticide synergist
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
metaraminol[no description available]medium10phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
pentylenetetrazole[no description available]medium10organic heterobicyclic compound;
organonitrogen heterocyclic compound
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
ethopabate[no description available]medium10amidobenzoic acid
acepromazine[no description available]medium10aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug
methoxamine[no description available]medium10amphetaminesalpha-adrenergic agonist;
antihypotensive agent
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
zoxazolamine[no description available]medium10benzoxazole
berlition[no description available]medium10dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
norethindrone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfachlorpyridazine[no description available]medium10organochlorine compound;
pyridazines;
sulfonamide		antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
methylprednisolone[no description available]medium106-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
phensuximide[no description available]medium10pyrrolidines
dimethisoquin[no description available]medium10isoquinolines
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
pyridostigmine bromide[no description available]medium10pyridinium salt
benzonatate[no description available]medium10benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
cinchophen[no description available]medium10quinolines
chloroprocaine[no description available]medium10benzoate ester;
monochlorobenzenes		central nervous system depressant;
local anaesthetic;
peripheral nervous system drug
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
fluorometholone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
dimenhydrinate[no description available]medium10diarylmethane
4-(benzoylamino)-2-hydroxybenzoic acid[no description available]medium10benzamides
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
docosanol[no description available]medium10docosanol;
long-chain primary fatty alcohol		antiviral drug;
plant metabolite
tetramethylpyrazine[no description available]medium10alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
flurandrenolone[no description available]medium1021-hydroxy steroid
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
flumethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
tranylcypromine[no description available]medium102-phenylcyclopropan-1-amine
beclomethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
(1S,2R)-tranylcypromine[no description available]medium102-phenylcyclopropan-1-amine
parbendazole[no description available]medium10benzimidazoles;
carbamate ester
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
metergoline[no description available]medium10carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist
fenclozic acid[no description available]medium10
capobenic acid[no description available]medium10benzamides
diftalone[no description available]medium10
carbimazole[no description available]medium101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
rose bengal b disodium salt[no description available]medium10
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
benoxaprofen[no description available]medium101,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
indalpine[no description available]medium10indoles
lidamidine[no description available]medium10ureas
talniflumate[no description available]medium10benzofurans
nedocromil[no description available]medium10dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
dazoxiben[no description available]medium10
tolrestat[no description available]medium10naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
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
remoxipride[no description available]medium10dimethoxybenzene
alpidem[no description available]medium10imidazoles
dopexamine[no description available]medium10catecholamine
lonapalene[no description available]medium10naphthalenes;
organochlorine compound
ipsapirone[no description available]medium10N-arylpiperazine
sematilide[no description available]medium10
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
remacemide[no description available]medium10stilbenoid
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
paroxetine hydrochloride[no description available]medium10hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
verapamil hydrochloride[no description available]medium10
fenclofenac[no description available]medium10aromatic ether
proxicromil[no description available]medium10
torbafylline[no description available]medium10
enrofloxacin[no description available]medium10cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
mepindolol[no description available]medium10indoles
fpl 52791[no description available]medium10
epanolol[no description available]medium10acetamides
methotrimeprazine[no description available]medium10phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
nicotine[no description available]medium103-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
levcromakalim[no description available]medium101-benzopyran
hexylcaine hydrochloride[no description available]medium10
imipenem, anhydrous[no description available]medium10beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
fpl 55712[no description available]medium10aromatic ketone
sivelestat[no description available]medium10N-acylglycine;
pivalate ester
fpl-52694[no description available]medium10
ramatroban[no description available]medium10organic molecular entity
methotrexate[no description available]medium10dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
xaliproden[no description available]medium10(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine		serotonergic agonist
n-isobutyrylcysteine[no description available]medium10
dexpanthenol[no description available]medium10amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin
quilostigmine[no description available]medium10pyrroloindole
imiloxan[no description available]medium10benzodioxine
aspartame[no description available]medium10carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
tempol[no description available]medium10aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
vatalanib[no description available]medium10monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
clevidipine[no description available]medium10dihydropyridine
hyoscyamine[no description available]medium10tropane alkaloid
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
lactitol[no description available]medium10glycosyl alditolcathartic;
excipient;
laxative
fpl 52757[no description available]medium10
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
fpl 59257[no description available]medium10
ropivacaine[no description available]medium10piperidinecarboxamide;
ropivacaine		local anaesthetic
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
zeneca zd 6169[no description available]medium10
sibenadet[no description available]medium10
latrepirdine[no description available]medium10methylpyridines;
pyridoindole		geroprotector
ramelteon[no description available]medium10indanes
lapatinib[no description available]medium10furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
sorafenib[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
cortisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
ouabain[no description available]medium1011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
salicin[no description available]medium10aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
(S)-bicalutamide[no description available]medium10N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
halcinonide[no description available]medium10organic molecular entitySMO receptor agonist
metrizamide[no description available]medium10amino sugar
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
chlorprothixene[no description available]medium10chlorprothixene
methylthiouracil[no description available]medium10pyrimidone
crotamiton[no description available]medium10
flunarizine[no description available]medium10diarylmethane
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
sulindac[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
scopolamine[no description available]medium103-hydroxy carboxylic acid
ranitidine[no description available]medium10C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
almokalant[no description available]medium10
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
vx-745[no description available]medium10aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
deracoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
2-aminohippuric acid[no description available]medium10N-acylglycine
rs-130830[no description available]medium10
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
vitamin k semiquinone radical[no description available]medium10
pheniramine maleate[no description available]medium10organic molecular entity
homatropine[no description available]medium10tropane alkaloid
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
ar c67085mx[no description available]medium10
desoximetasone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
sb 223412[no description available]medium10
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
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
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
tiotropium[no description available]medium10
guanabenz[no description available]medium10dichlorobenzene
nw 1029[no description available]medium10
ici d1542[no description available]medium10
gavestinel[no description available]medium10
1-methyl-d-lysergic acid butanolamide[no description available]medium10ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
dantrolene[no description available]medium10
tipredane[no description available]medium103-hydroxy steroidandrogen
bentiromide[no description available]medium10dipeptidediagnostic agent;
indicator;
reagent
gemifloxacin[no description available]medium101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
utibapril[no description available]medium10
zd 9379[no description available]medium10
ly 450139[no description available]medium10peptide
cangrelor[no description available]medium10adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor
sch 527123[no description available]medium10
linaprazan[no description available]medium10
lecozotan[no description available]medium10
ar c155858[no description available]medium10
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one[no description available]medium10methoxybenzenes;
substituted aniline
scopolamine hydrobromide[no description available]medium10
azd 7545[no description available]medium10benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
clavulanate potassium[no description available]medium10potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
cytomel[no description available]medium10organic sodium salt
a 967079[no description available]medium10
pht 427[no description available]medium10
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
carbadox[no description available]medium10quinoxaline derivative
fenobam[no description available]medium10ureas
benzyl bromide[no description available]medium10benzyl bromideslachrymator
bromide[no description available]medium10halide anion;
monoatomic bromine
morpholine[no description available]medium10morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound
meprobamate[no description available]medium30organic molecular entity
4-amino-3-phenylbutyric acid[no description available]medium10organonitrogen compound;
organooxygen compound
phenazepam[no description available]medium20
sodium oxybate[no description available]medium10
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
lonetil m3[no description available]medium10
methaqualone[no description available]medium10quinazolinesGABA agonist;
sedative
methamphetamine[no description available]medium10amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
emoxypine succinate[no description available]medium10
dimorpholamine[no description available]low00morpholines;
ureas
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol[no description available]low00benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound
doxapram[no description available]low00morpholines;
pyrrolidin-2-ones		central nervous system stimulant
hemicholinium 3[no description available]low00morpholines
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]low00chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
minaprine[no description available]low00morpholines;
pyridazines;
secondary amine		antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
moclobemide[no description available]low00benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
molsidomine[no description available]low00ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
phenmetrazine[no description available]low00morpholinesmetabolite;
sympathomimetic agent
pramoxine[no description available]low00aromatic ether;
morpholines		local anaesthetic
linsidomine[no description available]low00morpholines
trifenmorph[no description available]low00morpholines
fenbutrazate[no description available]low00morpholines
tridemorph[no description available]low00morpholines;
tertiary amino compound		antifungal agrochemical
morazone[no description available]low00morpholines
delmopinol[no description available]low00morpholines
3-morpholinopropylamine[no description available]low00morpholines;
primary amino compound
morzid[no description available]low00morpholines
methoxy-morpholinyl-doxorubicin[no description available]low00anthracycline antibiotic;
morpholines;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
morphazinamide[no description available]low00morpholines;
pyrazines;
secondary carboxamide
morpholinopropane sulfonic acid[no description available]low00MOPS;
morpholines;
organosulfonic acid
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide[no description available]low00carbodiimide;
morpholines		cross-linking reagent
dextromoramide[no description available]low00morpholines;
N-acylpyrrolidine		opioid analgesic
landiolol[no description available]low00morpholines
mosapride[no description available]low00aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
pre 084[no description available]low00morpholines
xamoterol[no description available]low00morpholines
canertinib[no description available]low00monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
birb 796[no description available]low00aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
Landiolol hydrochloride[no description available]low00morpholines
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
4-2-Aminoethyl-morpholine[no description available]low00morpholines
rocuronium[no description available]low003alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent
cp-640186[no description available]low00anthracenes;
bipiperidines;
morpholines;
N-acylpiperidine
4-Morpholinyl(4-pentylcyclohexyl)methanone[no description available]low00morpholines
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-N-[2-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
2-(2,4-dioxo-3-thiazolidinyl)-N-[4-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
N-(2-methylphenyl)-2-[5-[4-(4-morpholinyl)phenyl]-2-tetrazolyl]acetamide[no description available]low00morpholines
5-[4-morpholinyl(oxo)methyl]-2-pyranone[no description available]low00morpholines
5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)benzoic acid methyl ester[no description available]low00morpholines
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide[no description available]low00morpholines
4-(4-morpholinyl)-N-(pyridin-4-ylmethyl)aniline[no description available]low00morpholines
[4-amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-morpholinyl)methanone[no description available]low00morpholines
2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide[no description available]low00morpholines
DND-167 dye[no description available]low00morpholinesfluorochrome
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea[no description available]low00morpholines
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine[no description available]low00morpholines
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine[no description available]low00morpholines
1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]thiourea[no description available]low00morpholines
1-[5-(5-chloro-2-methylphenyl)-2-furanyl]-N-[4-(4-morpholinyl)phenyl]methanimine[no description available]low00morpholines
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester[no description available]low00morpholines
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide[no description available]low00morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound
1-(4-butylphenyl)-3-(4-morpholinyl)thiourea[no description available]low00morpholines
5-[[2-methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione[no description available]low00morpholines
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide[no description available]low00morpholines
2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester[no description available]low00morpholines
2-[(2-hydroxy-1-naphthalenyl)methyl-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
N-(2,5-diethoxy-4-morpholinophenyl)acetamide[no description available]low00morpholines
Benzo[b]thiophen-2-yl(morpholino)methanone[no description available]low00morpholines
5-(4-morpholinoanilino)-5-oxo-3-phenylpentanoic acid[no description available]low00morpholines
N-(2-morpholinophenyl)-N'-phenylurea[no description available]low00morpholines
N,N'-di[4-(2,6-dimethylmorpholino)phenyl]thiourea[no description available]low00morpholines
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide[no description available]low00morpholines
N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline[no description available]low00morpholines
N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline[no description available]low00morpholines
[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone[no description available]low00morpholines
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine[no description available]low00morpholines
1-[4-(dimethylamino)phenyl]-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione[no description available]low00morpholines
1-(2,4-dimethoxyphenyl)-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione[no description available]low00morpholines
N-[3-chloro-4-(4-morpholinyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine[no description available]low00morpholines
7-[(2,6-dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone[no description available]low00morpholines;
thiazolopyrimidine
3-(4-chlorophenyl)sulfonyl-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]propanamide[no description available]low00morpholines
3-(methanesulfonamido)benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester[no description available]low00morpholines
2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamide[no description available]low00morpholines
3-amino-5-morpholinomethyl-2-oxazolidinone[no description available]low00morpholines;
oxazolidinone		marine xenobiotic metabolite;
xenobiotic metabolite
5-ethyl-2-[[[3-(4-morpholinyl)-4-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester[no description available]low00morpholines
1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine[no description available]low00morpholines
4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester[no description available]low00morpholines;
pyranopyrazole
4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester[no description available]low00morpholines;
pyranopyrazole
(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone[no description available]low00morpholines
LSM-19878[no description available]low00morpholines
2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester[no description available]low00morpholines
4-(4-morpholinyl)-3-nitro-N-(2-thiazolyl)benzamide[no description available]low00morpholines
2-(1-adamantyl)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-1-(4-methyl-1-piperidinyl)-1-propanone[no description available]low00morpholines
[4-[bis(4-morpholinyl)phosphoryl]-1-methyl-2-pyrrolyl]-bis(4-morpholinyl)-sulfanylidenephosphorane[no description available]low00morpholines
5-benzoyl-6-methyl-4-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one[no description available]low00morpholines
purmorphamine[no description available]low00aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone[no description available]low00morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid		analgesic;
apoptosis inhibitor;
neuroprotective agent
DPI2[no description available]low00benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer
N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine[no description available]low00morpholines
rivaroxaban[no description available]low00aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
tae226[no description available]low00morpholines
flumorph[no description available]low00aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide
epoxomicin[no description available]low00morpholines;
tripeptide		proteasome inhibitor
MI-63[no description available]low00azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide		apoptosis inducer
chir 090[no description available]low00acetylenic compound;
benzamides;
hydroxamic acid;
L-threonine derivative;
morpholines		antimicrobial agent;
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor;
lipopolysaccharide biosynthesis inhibitor
carfilzomib[no description available]low00epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
zstk474[no description available]low00benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
1-(4-bromophenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea[no description available]low00morpholines
4-[(2-heptan-3-yl-1,3-dioxolan-4-yl)methyl]-4-methylmorpholin-4-ium[no description available]low00morpholines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-a]pyrazinamine[no description available]low00morpholines
buparlisib[no description available]low00aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
ku 0063794[no description available]low00benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
gdc 0941[no description available]low00indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
quizartinib[no description available]low00benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cobicistat[no description available]low001,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]low00benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
3-fluorophenmetrazine[no description available]low00morpholines
HG-10-102-01[no description available]low00aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
aprepitant[no description available]low00(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitant[no description available]low00(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]acetamide[no description available]low00morpholines
ver 52296[no description available]low00aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Liver Injury, Drug-Induced0low10
Alcohol Withdrawal Associated Autonomic Hyperactivity0low10
Alcohol Withdrawal Delirium0low10
Alcohol Withdrawal Hallucinosis0low10
Alcohol Withdrawal-Induced Delirium Tremens0low10
Anemia, Fanconi0low10
Autonomic Hyperactivity, Alcohol Withdrawal Associated0low10
Central Nervous System Disease0low10
Central Nervous System Diseases0low10
Central Nervous System Disorder0low10
Central Nervous System Disorders0low10
Centrala nervsystemets sjukdomar@sv0low10
Chemical and Drug Induced Liver Injury0low10
Chemically-Induced Liver Toxicity0low10
Choroby OUN@pl0low10
CNS Disease0low10
CNS Diseases0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Delirium Tremens0low10
Delirium Tremens, Alcohol Withdrawal Induced0low10
Depression0low10
Developmental Psychomotor Disorders0low10
Disease Models, Animal0low10
Doenu00E7as do Sistema Nervoso Central@pt0low10
Drug Withdrawal Symptoms0low10
Drug-Induced Acute Liver Injury0low10
Drug-Induced Liver Disease0low10
Drug-Induced Liver Injury0low10
Enfermedades del Sistema Nervioso Central@es0low10
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fever, Zika0low10
Hepatitis, Drug-Induced0low10
Hepatitis, Toxic0low10
Keskushermoston sairaudet@fi0low10
Liver Injury, Drug-Induced0low10
Liver Injury, Drug-Induced, Acute0low10
Maladie du systu00E8me nerveux central@fr0low10
Malattie del sistema nervoso centrale@it0low10
nemoci centru00E1lnu00EDho nervovu00E9ho systu00E9mu@cs0low10
Neuroses0low30
Neurotic Disorders0low30
Pregnancy0low10
Psychomotor Disorders0low10
Psychomotor Disorders, Developmental0low10
Psychomotor Impairment0low10
Psychoneuroses0low30
Psychoses, Alcoholic0low10
SREDIu0160NJI u017DIVu010CANI SUSTAV, BOLESTI@hr0low10
Substance Withdrawal Syndrome0low10
Sykdommer i sentralnervesystemet@no0low10
Toxic Hepatitis0low10
u041Du0415u0420u0412u041Du041Eu0419 u0421u0418u0421u0422u0415u041Cu042B u0426u0415u041Du0422u0420u0410u041Bu042Cu041Du041Eu0419 u0411u041Eu041Bu0415u0417u041Du0418@ru0low10
u4E2Du67A2u795Eu7D4Cu7CFBu75BEu60A3@ja0low10
Withdrawal Symptoms0low10
Zentralnervensystemkrankheiten@de0low10
Ziekte, centraalzenuwstelsel-@nl0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Bioavailability (2)

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