Compounds > Girgensonine
Page last updated: 2024-09-27

Girgensonine

Cross-References

ID SourceID
PubMed CID442638
CHEMBL ID1377579
CHEBI ID5362

Synonyms (31)

Synonym
CBMICRO_016783 ,
MLS000523392
OPREA1_115863
(4-hydroxy-phenyl)-piperidin-1-yl-acetonitrile
smr000123370
MLS001049090
OPREA1_642022
CHEMDIV1_019401 ,
BIM-0016836.P001
C10148 ,
486-30-6
girgensonine
2-(4-hydroxyphenyl)-2-piperidin-1-ylacetonitrile
HMS642B19
AKOS000630290
(4-hydroxyphenyl)(piperidin-1-yl)acetonitrile
STK966723
CCG-5837
HMS2393A07
AKOS017269276
AB00080140-01
CHEBI:5362 ,
cambridge id 5312200
bdbm50005194
CHEMBL1377579 ,
2-(4-hydroxyphenyl)-2-(1-piperidyl)acetonitrile
DTXSID20331888
SR-01000400443-1
sr-01000400443
Q27106731
2-(4-hydroxyphenyl)-2-(piperidin-1-yl)acetonitrile

Drug Classes (1)

ClassDescription
nitrileA compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
[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 (3)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency9.97630.140911.194039.8107AID2451
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency4.46680.011212.4002100.0000AID1030
[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)
AcetylcholinesteraseHomo sapiens (human)IC50 (µMol)93.00000.00000.933210.0000AID1127083
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (14)

Processvia Protein(s)Taxonomy
acetylcholine catabolic process in synaptic cleftAcetylcholinesteraseHomo sapiens (human)
regulation of receptor recyclingAcetylcholinesteraseHomo sapiens (human)
osteoblast developmentAcetylcholinesteraseHomo sapiens (human)
acetylcholine catabolic processAcetylcholinesteraseHomo sapiens (human)
cell adhesionAcetylcholinesteraseHomo sapiens (human)
nervous system developmentAcetylcholinesteraseHomo sapiens (human)
synapse assemblyAcetylcholinesteraseHomo sapiens (human)
receptor internalizationAcetylcholinesteraseHomo sapiens (human)
negative regulation of synaptic transmission, cholinergicAcetylcholinesteraseHomo sapiens (human)
amyloid precursor protein metabolic processAcetylcholinesteraseHomo sapiens (human)
positive regulation of protein secretionAcetylcholinesteraseHomo sapiens (human)
retina development in camera-type eyeAcetylcholinesteraseHomo sapiens (human)
acetylcholine receptor signaling pathwayAcetylcholinesteraseHomo sapiens (human)
positive regulation of cold-induced thermogenesisAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
amyloid-beta bindingAcetylcholinesteraseHomo sapiens (human)
acetylcholinesterase activityAcetylcholinesteraseHomo sapiens (human)
cholinesterase activityAcetylcholinesteraseHomo sapiens (human)
protein bindingAcetylcholinesteraseHomo sapiens (human)
collagen bindingAcetylcholinesteraseHomo sapiens (human)
hydrolase activityAcetylcholinesteraseHomo sapiens (human)
serine hydrolase activityAcetylcholinesteraseHomo sapiens (human)
acetylcholine bindingAcetylcholinesteraseHomo sapiens (human)
protein homodimerization activityAcetylcholinesteraseHomo sapiens (human)
laminin bindingAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (13)

Processvia Protein(s)Taxonomy
extracellular regionAcetylcholinesteraseHomo sapiens (human)
basement membraneAcetylcholinesteraseHomo sapiens (human)
extracellular spaceAcetylcholinesteraseHomo sapiens (human)
nucleusAcetylcholinesteraseHomo sapiens (human)
Golgi apparatusAcetylcholinesteraseHomo sapiens (human)
plasma membraneAcetylcholinesteraseHomo sapiens (human)
cell surfaceAcetylcholinesteraseHomo sapiens (human)
membraneAcetylcholinesteraseHomo sapiens (human)
neuromuscular junctionAcetylcholinesteraseHomo sapiens (human)
synaptic cleftAcetylcholinesteraseHomo sapiens (human)
synapseAcetylcholinesteraseHomo sapiens (human)
perinuclear region of cytoplasmAcetylcholinesteraseHomo sapiens (human)
side of membraneAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1159537qHTS screening for TAG (triacylglycerol) accumulators in algae2017Plant physiology, Aug, Volume: 174, Issue:4
Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.
AID1127083Inhibition of AChE (unknown origin) by Ellman colorimetric method2014European journal of medicinal chemistry, May-06, Volume: 78Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever.
AID1127082Dissociation constant, pKa of the compound2014European journal of medicinal chemistry, May-06, Volume: 78Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever.
AID1127081Aqueous solubility, log S of the compound2014European journal of medicinal chemistry, May-06, Volume: 78Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's4 (57.14)24.3611
2020's3 (42.86)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 Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
diazinon[no description available]medium10organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
temefos[no description available]medium10organic sulfide;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide
galantamine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
levoplast[no description available]medium10C-nitro compound
hippuric acid[no description available]medium10N-acylglycinehuman blood serum metabolite;
uremic toxin
xanthine[no description available]medium10xanthineSaccharomyces cerevisiae metabolite
atrolactic acid[no description available]medium102-hydroxy monocarboxylic acid
etofylline[no description available]medium10oxopurine
n-acetyltryptophan[no description available]medium10N-acetyl-amino acid;
tryptophan derivative		metabolite
ethacridine[no description available]medium10acridines
altretamine[no description available]medium10triamino-1,3,5-triazine
2,5-di-tert-butylhydroquinone[no description available]medium10hydroquinones
cx546[no description available]medium10
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
diuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
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
ipriflavone[no description available]medium10aromatic ether;
isoflavones		bone density conservation agent
mebendazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
nocodazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
piribedil[no description available]medium10N-arylpiperazine
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
prometone[no description available]medium10diamino-1,3,5-triazine;
methoxy-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
propanil[no description available]medium10anilide;
dichlorobenzene		herbicide
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
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
sulfathiazole[no description available]medium101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
testosterone[no description available]medium103-hydroxy steroidandrogen
2-hydroxybenzylbenzimidazole[no description available]medium10
etimizol[no description available]medium10
nifenalol[no description available]medium10C-nitro compound
bis(4-hydroxyphenyl)sulfone[no description available]medium10bisphenol;
sulfone		endocrine disruptor;
metabolite
8-hydroxyquinoline-5-sulfonic acid[no description available]medium10
salicylanilide[no description available]medium10benzanilide fungicide;
salicylamides;
salicylanilides
2-phenylbutyric acid[no description available]medium10benzenes;
monocarboxylic acid		human xenobiotic metabolite
4,4'-dimethoxybenzophenone[no description available]medium10
6-phenyl-1,3,5-triazine-2,4-diamine[no description available]medium10
quinaldic acid[no description available]medium10quinolinemonocarboxylic acidhuman metabolite;
Saccharomyces cerevisiae metabolite
N-(2-methoxyphenyl)acetamide[no description available]medium10acetamides;
methoxybenzenes
fast red b[no description available]medium10
methylenebis(chloroaniline)[no description available]medium10chloroanilinemetabolite
di-(4-aminophenyl)ether[no description available]medium10aromatic ether
diphenylguanidine[no description available]medium10guanidinesallergen
4-Anilino-4-oxobutanoic acid[no description available]medium10anilide
mephobarbital[no description available]medium10barbituratesanticonvulsant
etryptamine[no description available]medium10indoles
sulfacetamide[no description available]medium10
cinchophen[no description available]medium10quinolines
2-aminobenzothiazole[no description available]medium10benzothiazoles
carzenide[no description available]medium10sulfonamide
nitrilotriacetic acid[no description available]medium10NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
n-(2-cyanoethyl)-2-phenylethylamine[no description available]medium10
cyclooctane[no description available]medium10
triphenyltetrazolium chloride[no description available]medium10organic chloride saltdye;
indicator
2,7-diacetylaminofluorene[no description available]medium10
3,4-pyridinedicarboxylic acid[no description available]medium10pyridinedicarboxylic acid
4-(benzoylamino)-2-hydroxybenzoic acid[no description available]medium10benzamides
tropic acid[no description available]medium103-hydroxy monocarboxylic acidhuman xenobiotic metabolite
8-hydroxy-7-iodo-5-quinolinesulfonic acid[no description available]medium10hydroxyquinoline
1-acetylisatin[no description available]medium10indoledione
4-cumylphenol[no description available]medium10diarylmethane
5-methylisatin[no description available]medium10
2-hydrazinobenzothiazole[no description available]medium10
1,2,3-trimethoxybenzene[no description available]medium10methoxybenzenesplant metabolite
2-amino-5-chlorobenzophenone[no description available]medium10
diphenamid[no description available]medium10diarylmethane
4-(4-nitrobenzyl)pyridine[no description available]medium10
5-methyl-3-phenylisoxazole-4-carboxylic acid[no description available]medium10
2-acetylbenzofuran[no description available]medium10
pyrazon[no description available]medium10benzenes;
organochlorine compound;
primary amino compound;
pyridazinone		environmental contaminant;
herbicide;
xenobiotic
2-amino-5-nitrobenzophenone[no description available]medium10
(4-tert-Butyl-phenoxy)-acetic acid[no description available]medium10monocarboxylic acid
lenacil[no description available]medium10cyclopentapyrimidineagrochemical;
environmental contaminant;
herbicide;
xenobiotic
chlordesmethyldiazepam[no description available]medium10benzodiazepine
2-amino-2',5-dichlorobenzophenone[no description available]medium10
2-(2'-hydroxyphenyl)benzimidazole[no description available]medium10
4-phthalimidobutyric acid[no description available]medium10
azabutyrone[no description available]medium10
2-(2-hydroxyphenyl)benzothiazole[no description available]medium10benzothiazoles;
phenols		geroprotector
4,5-dichlorocatechol[no description available]medium10
n-butylbenzenesulfonamide[no description available]medium10sulfonamideneurotoxin;
plant metabolite
3-phenoxybenzoic acid[no description available]medium10phenoxybenzoic acidhuman xenobiotic metabolite;
marine xenobiotic metabolite
2-(2-hydroxyethylmercapto)benzothiazole[no description available]medium10
carboxin[no description available]medium10anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
meturin[no description available]medium10
2-bromo-N-phenylbenzamide[no description available]medium10benzamides
4-chlorohippuric acid[no description available]medium10
4-chlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
monochlorobenzenes		phenoxy herbicide
2,5-dichloro-1,4-phenylenediamine[no description available]medium10
metribuzin[no description available]medium101,2,4-triazines;
cyclic ketone;
organic sulfide		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
2,5-dimethyl-3-furancarboxanilide[no description available]medium10
moricizine hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
2-benzimidazolylguanidine[no description available]medium10aminoimidazole
diflubenzuron[no description available]medium10benzoylurea insecticide;
monochlorobenzenes		insect sterilant
pentafluorobenzoyl-n-phenylethylamine[no description available]medium10
thidiazuron[no description available]medium10ureas
phenthiazamine[no description available]medium10
5,5-diphenylbarbituric acid[no description available]medium10
3-acetamidobenzoic acid[no description available]medium10
dazoxiben hydrochloride[no description available]medium10
succinylsulfanilamide[no description available]medium10
benzylaminopurine[no description available]medium106-aminopurinescytokinin;
plant metabolite
ciprofloxacin hydrochloride anhydrous[no description available]medium10hydrochlorideantibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
src-820 r[no description available]medium10
n(4)-acetylsulfadiazine[no description available]medium10acetamides;
pyrimidines;
sulfonamide		marine xenobiotic metabolite
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone[no description available]medium10
formetamide[no description available]medium10
isbufylline[no description available]medium10
phenylacetylglycine[no description available]medium10monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
N-benzoylanthranilic acid[no description available]medium10amidobenzoic acid
butinoline[no description available]medium10diarylmethane
n-(2-carboxyphenyl)glycine[no description available]medium10
n,n-dimethyl-4-anisidine[no description available]medium10
n-benzoylpiperidine[no description available]medium10benzamides;
N-acylpiperidine
2-phenylcyclopropanecarboxylic acid[no description available]medium10
n-demethylantipyrine[no description available]medium10pyrazoles;
ring assembly
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine[no description available]medium101,2,4-triazines
2-amino-5-bromopyridine[no description available]medium10
n-benzoylalanine, (dl-ala)-isomer[no description available]medium10alanine derivative;
N-acyl-amino acid		metabolite
bicinchoninic acid[no description available]medium10
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
benzoylpropionic acid[no description available]medium104-oxo monocarboxylic acidhapten
Evoxine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid[no description available]medium10harmala alkaloid
N-Benzylphthalimide[no description available]medium10isoindoles
pyromellitic diimide[no description available]medium10
4'-bromosalicylanilide[no description available]medium10
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane[no description available]medium10bisphenol
terephthalamide[no description available]medium10benzenedicarboxamide
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl-[no description available]medium10
2-nitrophenylacetic acid[no description available]medium10C-nitro compound;
phenylacetic acids
onychine[no description available]medium10
4'-methoxyflavone[no description available]medium10ether;
flavonoids
1,3-diphenyl-2-aminopropane[no description available]medium10
2,2-diphenylpropionic acid[no description available]medium10
3,4-dimethoxyphenylacetamide[no description available]medium10
2-amino-5-bromobenzoic acid[no description available]medium10
2-(1H-benzimidazol-2-yl)aniline[no description available]medium10benzimidazoles;
primary arylamine;
substituted aniline		geroprotector
N-Acetylhomoveratrylamine[no description available]medium10acetamides
2-chlorobenzenesulfonamide[no description available]medium10
4-nitrophenyl dimethylcarbamate[no description available]medium10
8-(4-tolylsulfonylamino)quinoline[no description available]medium10sulfonamide
5-methoxyindole-3-carbaldehyde[no description available]medium10indoles
2-oxo-1,2-dihydroquinoline-4-carboxylic acid[no description available]medium10quinolinemonocarboxylic acid
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one[no description available]medium10beta-carbolines
pd 147953[no description available]medium10
fenozan[no description available]medium10
5-phenylbarbituric acid[no description available]medium10
diethylpropion hydrochloride[no description available]medium10hydrochlorideappetite depressant
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol[no description available]medium10
beta-hydroxyphenylalanine[no description available]medium10
3-(n-salicyloyl)amino-1,2,4-triazole[no description available]medium10
7-chloro-4-aminoquinoline[no description available]medium10aminoquinoline
acridine-9-carboxylic acid[no description available]medium10
1-phenazinecarboxylic acid[no description available]medium10aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
4,5-diphenyl-1,5-dihydroimidazol-2-one[no description available]medium10stilbenoid
2-hydroxy-1,2-bis(methoxyphenyl)ethanone[no description available]medium10
4-methyl-N-(phenylmethyl)benzenesulfonamide[no description available]medium10sulfonamide
4-n-butylaminobenzoic acid[no description available]medium10aromatic amino acid
fluoren-9-ol[no description available]medium10
1-(2-carboxyethyl)uracil[no description available]medium10
1-benzylindole[no description available]medium10
2,3-bis(2-pyridinyl)quinoxaline[no description available]medium10quinoxaline derivative
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol[no description available]medium10dichlorobenzene;
hydroxybiphenyls
5-nitro-2-(1-piperidinyl)pyridine[no description available]medium10C-nitro compound
2-amino-5,7-dimethyl-1,8-naphthyridine[no description available]medium10
5-benzyloxytryptophan[no description available]medium10
2,5-diethoxy-4-morpholinoaniline[no description available]medium10
3-hydroxy-3-phenacyloxindole[no description available]medium10
carbobenzoxyphenylalanine, (dl-phe)-isomer[no description available]medium10
gamma-fagarine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
3-carboxymethyl-6-benzyl-2,5-diketopiperazine[no description available]medium10organonitrogen compound;
organooxygen compound
4-fluorobenzenesulfonamide[no description available]medium10
emoxypine succinate[no description available]medium10
n-carbamyltryptophan[no description available]medium10
2,4,6-trimethoxyacetophenone[no description available]medium10
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole[no description available]medium10
4-methyoxybenzoyl-n-glycine[no description available]medium10N-acylglycine
5-ethoxy-2-ethylmercaptobenzimidazole[no description available]medium10
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester[no description available]medium10
n-phenyliminodiacetic acid[no description available]medium10
teomorfolin[no description available]medium10
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone[no description available]medium10benzodioxoles
n-(aminocarbonyl)-2-chlorobenzenesulfonamide[no description available]medium10
3-hydroxy-2-quinoxalinepropionic acid[no description available]medium10
8-(methylsulfonylamino)quinoline[no description available]medium10
n(4)-acetylsulfamonomethoxine[no description available]medium10
8-(4-benzenesulfonylamino)quinoline[no description available]medium10
methindione[no description available]medium10
3,4-dihydroxybenzophenone[no description available]medium10
gamma-propanol[no description available]medium10
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile[no description available]medium10benzenes;
nitrile
isonicotinylamide gaba[no description available]medium10
5-fluorotryptamine monohydrochloride[no description available]medium10
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide[no description available]medium10
3-(hydroxyacetyl)indole[no description available]medium10indoles
n-(4-aminophenylsulfonyl)morpholine[no description available]medium10
1H-indol-3-yl-(4-methoxyphenyl)methanone[no description available]medium10N-acylindole
2-amino-5-phenyl-1,3,4-thiadiazole[no description available]medium10
N-(1-phenylethyl)acetamide[no description available]medium10acetamides;
secondary carboxamide
alpha-(trichloromethyl)-4-pyridineethanol[no description available]medium10pyridines
ml 204[no description available]medium10
eudesmin[no description available]medium10
2-amino-4-methyl-3-nitropyridine[no description available]medium10
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline[no description available]medium10
n-acetylhistidine[no description available]medium10histidine derivative;
N-acetyl-amino acid
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid[no description available]medium10acetamides
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea[no description available]medium10ureas
4-methoxyxanthone[no description available]medium10
N-(4-nitrophenyl)-2-phenoxyacetamide[no description available]medium10C-nitro compound
1-phenylindolin-2-one[no description available]medium10
1-(benzenesulfonyl)indole[no description available]medium10sulfonamide
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile[no description available]medium10dihydropyridine
pifithrin mu[no description available]medium10benzenes
2-benzyloxybenzaldehyde[no description available]medium10
2-guanidine-4-methylquinazoline[no description available]medium10
N-phenylcarbamic acid 2-phenoxyethyl ester[no description available]medium10carbamate ester
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol[no description available]medium10benzimidazoles
mequindox[no description available]medium10
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide[no description available]medium10diarylmethane
Dubinidine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
N-[4-(methanesulfonamido)phenyl]acetamide[no description available]medium10sulfonamide
4-(2-oxazolo[4,5-b]pyridinyl)aniline[no description available]medium101,3-oxazoles
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole[no description available]medium10benzoxazole
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium[no description available]medium10pyridazines
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone[no description available]medium10substituted aniline
1-phenyl-4-pyrazolol[no description available]medium10pyrazoles;
ring assembly
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide[no description available]medium10benzothiazoles
3-benzamido-2-benzofurancarboxamide[no description available]medium10benzofurans
N-[2-(4-methoxyphenyl)ethyl]acetamide[no description available]medium10acetamides
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide[no description available]medium10aromatic ether
2-(1H-indol-3-ylthio)acetic acid[no description available]medium10indoles
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide[no description available]medium10carbonyl compound;
organohalogen compound
3-Methylbenzofuran-2-carboxylic acid[no description available]medium10benzofurans
5-(3,4-dimethoxyphenyl)-2H-tetrazole[no description available]medium10tetrazoles
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine[no description available]medium10piperazines
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol[no description available]medium10alkylbenzene
2-phenylindole-3-carbaldehyde[no description available]medium10
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine[no description available]medium10aryl sulfide
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine[no description available]medium10C-nitro compound
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline[no description available]medium10pyrimidines
7-methoxyisoflavone[no description available]medium107-methoxyisoflavones
LSM-32392[no description available]medium10monoterpenoid
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide[no description available]medium10benzamides
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol[no description available]medium10benzimidazoles
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide[no description available]medium10sulfonamide
3-acetamido-5-chloro-2-benzofurancarboxylic acid[no description available]medium10benzofurans
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone[no description available]medium10dimethoxybenzene
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine[no description available]medium10N-arylpiperazine
haplamine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine[no description available]medium10triazoles
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide[no description available]medium10benzamides
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone[no description available]medium10aromatic ketone
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid[no description available]medium10quinolines
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline[no description available]medium10pyridines;
pyrrolidines;
quinazolines
scp 1[no description available]medium10
N-(3-acetamidophenyl)-4-methoxybenzamide[no description available]medium10benzamides
N-(3-acetamidophenyl)-3-chlorobenzamide[no description available]medium10benzamides
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide[no description available]medium10benzamides
N-(2-fluorophenyl)-4-phenylmethoxybenzamide[no description available]medium10benzamides
N-[4-(diethylamino)phenyl]-2-furancarboxamide[no description available]medium10aromatic amide;
furans
N-(2-furanylmethyl)-2-benzofurancarboxamide[no description available]medium10benzofurans
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine[no description available]medium10aromatic amine;
thiadiazoles
te 5[no description available]medium10
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide[no description available]medium10ureas
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine[no description available]medium10benzothiazoles
6-methylflavone[no description available]medium10
2-methoxy-N-(2-pyridinyl)benzamide[no description available]medium10benzamides
2-chloro-N-(2-phenylethyl)benzamide[no description available]medium10carbonyl compound;
organohalogen compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide[no description available]medium10C-nitro compound
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide[no description available]medium10carbonyl compound;
organohalogen compound
tioxazafen[no description available]medium101,2,4-oxadiazole;
thiophenes		agrochemical;
nematicide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide[no description available]medium10aromatic amide
1-(4-Methoxyphenyl)-2-nitroethylene[no description available]medium10methoxybenzenes
brd32048[no description available]medium10methoxybenzenes;
substituted aniline
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide[no description available]medium10aromatic ether
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine[no description available]medium10imidazoles
5-(2-phenyl-4-triazolyl)-2H-tetrazole[no description available]medium10triazoles
N-cyclohexyl-2,3-dihydroindole-1-carboxamide[no description available]medium10indolyl carboxylic acid
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine[no description available]medium10aryl sulfide;
benzenes;
thienopyrimidine
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone[no description available]medium10organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide[no description available]medium10indolecarboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide[no description available]medium10benzamides
4-(1H-benzimidazol-2-yl)quinoline[no description available]medium10quinolines
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one[no description available]medium10aromatic ketone
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide[no description available]medium10aromatic amide;
furans
N-(4-methoxyphenyl)-2-benzofurancarboxamide[no description available]medium10aromatic amide;
furans
2-(9h-xanthen-9-yl)-malonic acid[no description available]medium10xanthenes
1-(1,3-benzothiazol-2-yl)-3-phenylurea[no description available]medium10ureas
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one[no description available]medium10imidazoles
N-(4-acetamidophenyl)-2-bromobenzamide[no description available]medium10benzamides
4-bromo-N-phenacylbenzamide[no description available]medium10aromatic ketone
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone[no description available]medium10indoles
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide[no description available]medium10triazoles
N,N-dimethyl-N'-p-tolylsulfamide[no description available]medium10sulfamidesmarine xenobiotic metabolite
2-(1-piperidinylmethyl)phenol[no description available]medium10
2,6-bis(benzimidazol-2-yl)pyridine[no description available]medium10benzimidazoles
1-cyclohexyl-3-(2-phenylethyl)urea[no description available]medium10benzenes
1-(3,5-dichlorophenyl)-3-phenylurea[no description available]medium10ureas
1-(cyclohexylmethyl)-4-phenylpiperazine[no description available]medium10piperazines
N-phenethyl-2-furamide[no description available]medium10aromatic amide;
heteroarene
paromomycin sulfate[no description available]medium10
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide[no description available]medium10benzimidazoles
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine[no description available]medium10aralkylamine
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide[no description available]medium10monoterpenoid
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile[no description available]medium10nitrile;
pyridines
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide[no description available]medium10benzamides
vu0099704[no description available]medium10
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one[no description available]medium10pyrazoles;
ring assembly
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline[no description available]medium10triazoles
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide[no description available]medium10pyrroloquinoline
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole[no description available]medium10aryl sulfide
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile[no description available]medium10
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone[no description available]medium10aromatic ketone
2-fluoro-N-phenacylbenzamide[no description available]medium10aromatic ketone
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile[no description available]medium10nitrile;
pyridines
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone[no description available]medium10carbonyl compound;
thiol
GS4012 free base[no description available]medium10aryl sulfide;
monomethoxybenzene;
pyridines		VEGF activator
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide[no description available]medium10benzimidazoles
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone[no description available]medium10aromatic ketone
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide[no description available]medium10amino acid amide;
glycine derivative
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine[no description available]medium10N-arylpiperazine
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine[no description available]medium10piperazines
4-Piperidinobenzoic acid[no description available]medium10piperidines
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine[no description available]medium10piperazines
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide[no description available]medium10pyrroloquinoline
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine[no description available]medium10benzimidazoles
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide[no description available]medium10sulfonamide
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide[no description available]medium10benzodioxine
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide[no description available]medium10aromatic amide;
furans
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine[no description available]medium10
8-(3,5-dimethyl-1-pyrazolyl)quinoline[no description available]medium10quinolines
2'-nitroflavone[no description available]medium10
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine[no description available]medium10aminoquinoline
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one[no description available]medium10aromatic compound
vrt 532[no description available]medium10
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol[no description available]medium10piperazines
1-piperonylpiperidine[no description available]medium10
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol[no description available]medium10aromatic amine
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol[no description available]medium10aromatic amine
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one[no description available]medium10pyrazolopyrimidine
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide[no description available]medium10benzamides
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide[no description available]medium10imidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole[no description available]medium10aryl sulfide
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine[no description available]medium10benzoxazole
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea[no description available]medium10ureas
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid[no description available]medium10N-acylglycine
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone[no description available]medium10aromatic ketone
N-(3-acetamidophenyl)-2-chlorobenzamide[no description available]medium10benzamides
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine[no description available]medium10dialkylarylamine;
tertiary amino compound
2-bromo-N-(3-methoxyphenyl)benzamide[no description available]medium10benzamides
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol[no description available]medium10aromatic ether;
C-nitro compound
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid[no description available]medium10aromatic amide;
furans
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea[no description available]medium10quinoxaline derivative
2-(dimethylsulfamoylamino)-9H-fluorene[no description available]medium10fluorenes
4-chloro-1-ethyl-3-nitro-2-quinolinone[no description available]medium10nitro compound;
quinolines
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone[no description available]medium10quinolines
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde[no description available]medium10arenecarbaldehyde
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone[no description available]medium10stilbenoid
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide[no description available]medium10aromatic amide
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide[no description available]medium10triazoles
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide[no description available]medium10anilide
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide[no description available]medium10organofluorine compound
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide[no description available]medium10phthalazines
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide[no description available]medium10phthalimides
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline[no description available]medium10quinolines
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone[no description available]medium10stilbenoid
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole[no description available]medium10pyridines
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione[no description available]medium10phthalimides
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)[no description available]medium10benzimidazoles
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide[no description available]medium10aromatic amide;
furans
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide[no description available]medium10carbazoles
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide[no description available]medium10primary carboxamide;
pyrazines;
secondary carboxamide
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide[no description available]medium10benzodioxoles
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea[no description available]medium10benzodioxine
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline[no description available]medium10aryl sulfide
1-[2-(2-chlorophenoxy)ethyl]benzimidazole[no description available]medium10benzimidazoles
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one[no description available]medium10C-nitro compound
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide[no description available]medium10sulfonamide
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone[no description available]medium10aromatic ketone
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine[no description available]medium10triazolopyridazine
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide[no description available]medium10aromatic ketone
oncrasin-1[no description available]medium10arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide[no description available]medium10C-nitro compound
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde[no description available]medium10benzimidazoles
N-(4-anilinophenyl)-2-methylpropanamide[no description available]medium10anilide
N-(2-fluorophenyl)-3-phenylpropanamide[no description available]medium10anilide
1-[(Phenylthio)acetyl]piperidine[no description available]medium10N-acylpiperidine
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide[no description available]medium10aromatic amide;
furans
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid[no description available]medium10trihydroxybenzoic acid
4-(4-morpholinylmethyl)-3-quinolinol[no description available]medium10quinolines
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide[no description available]medium10benzamides
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione[no description available]medium10naphthofuran
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide[no description available]medium10aromatic amide;
heteroarene
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone[no description available]medium10benzamides
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone[no description available]medium10aromatic ketone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide[no description available]medium10acetamides
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide[no description available]medium10benzamides
1-propylsulfonyl-4-(2-pyridinyl)piperazine[no description available]medium10piperazines;
pyridines
2-(2-phenylethylthio)-3-pyridinecarboxylic acid[no description available]medium10aromatic carboxylic acid;
pyridines
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide[no description available]medium10aromatic ether
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide[no description available]medium10benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide[no description available]medium10thiazoles
1-cyclohexyl-3-(3-ethylphenyl)urea[no description available]medium10ureas
n-phenylpiracetam[no description available]medium10
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide[no description available]medium10biphenyls
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide[no description available]medium10benzamides
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide[no description available]medium10isoquinolines
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid[no description available]medium10benzamides
1,4-bis(thiophen-2-ylsulfonyl)piperazine[no description available]medium10N-sulfonylpiperazine;
thiophenes
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide[no description available]medium10benzamides
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine[no description available]medium10piperazines
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide[no description available]medium10
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone[no description available]medium10quinazolines
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea[no description available]medium10morpholines
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate[no description available]medium10carbamate ester;
sulfonamide
LSM-4563[no description available]medium10aromatic ketone
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine[no description available]medium10piperazines
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide[no description available]medium10sulfonamide
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide[no description available]medium10sulfonamide
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine[no description available]medium10sulfonamide
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide[no description available]medium10sulfonamide
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline[no description available]medium10piperazines;
pyridines
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone[no description available]medium10quinolines
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine[no description available]medium10tetrazoles
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide[no description available]medium101,3-oxazoles
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone[no description available]medium10piperazines;
pyridines
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol[no description available]medium10thiazolopyrimidine
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid[no description available]medium10aromatic amide
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid[no description available]medium10benzamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide[no description available]medium10acetamides
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid[no description available]medium10methoxybenzoic acid
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide[no description available]medium10sulfonamide
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide[no description available]medium10aromatic amide
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide[no description available]medium10benzamides
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione[no description available]medium10aromatic ketone
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide[no description available]medium10sulfonamide
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide[no description available]medium10sulfonamide
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide[no description available]medium10benzamides
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide[no description available]medium10benzamides
stk295900[no description available]medium10
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine[no description available]medium10piperazines
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide[no description available]medium10pyridazines;
ring assembly
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea[no description available]medium10ureas
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide[no description available]medium10methoxybenzenes
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine[no description available]medium10phthalazines
SMER 28[no description available]medium10organobromine compound;
quinazolines;
secondary amino compound		autophagy inducer
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester[no description available]medium10morpholines
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone[no description available]medium10aromatic ether
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone[no description available]medium10N-acylpiperidine
N-(3-phenylpropyl)methanesulfonamide[no description available]medium10benzenes
4-acetamido-N-(2-methoxyethyl)benzamide[no description available]medium10amidobenzoic acid
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide[no description available]medium10aromatic amide;
furans
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone[no description available]medium10quinolines
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine[no description available]medium10aromatic ether
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone[no description available]medium10aralkylamine
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester[no description available]medium10piperazinecarboxylic acid
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid[no description available]medium10benzamides
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene[no description available]medium10methoxybenzenes
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide[no description available]medium10sulfonamide
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine[no description available]medium10aromatic ether
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide[no description available]medium10biphenyls
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one[no description available]medium10
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol[no description available]medium10nitrophenol
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine[no description available]medium10quinazolines
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one[no description available]medium10aromatic ketone
Methyl(2-furoylamino)acetic acid[no description available]medium10N-acyl-amino acid
5-nitro-8-(1-pyrrolidinyl)quinoline[no description available]medium10nitro compound;
quinolines
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide[no description available]medium10amino acid amide
2-[(4-methylphenyl)sulfonylamino]pentanoic acid[no description available]medium10sulfonamide
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine[no description available]medium10
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide[no description available]medium10piperidines
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone[no description available]medium10acetamides
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile[no description available]medium10methoxybenzenes
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione[no description available]medium10pyrrolidines
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione[no description available]medium10pyrrolidines
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine[no description available]medium10dialkylarylamine;
tertiary amino compound
(3,5-Dimethyl-1-adamantyl)amine nitrate[no description available]medium10nitrates
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol[no description available]medium10alkylbenzene
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine[no description available]medium10N-alkylpyrrolidine
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine[no description available]medium10aralkylamine
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide[no description available]medium10aromatic amide
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid[no description available]medium10anilide
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide[no description available]medium10aromatic amide
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide[no description available]medium10monoterpenoid
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide[no description available]medium10carbonyl compound;
organohalogen compound
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid[no description available]medium10benzodioxine
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol[no description available]medium10aromatic compound
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile[no description available]medium10pyrrolidines
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol[no description available]medium10methoxybenzenes
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile[no description available]medium10organochlorine compound;
pyranopyrazole
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol[no description available]medium10benzimidazoles
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide[no description available]medium10hydroxyquinoline
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile[no description available]medium10organic heterobicyclic compound;
organonitrogen heterocyclic compound
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione[no description available]medium10pyrrolidines
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid[no description available]medium10anilide
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid[no description available]medium10organosulfur heterocyclic compound
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone[no description available]medium10aromatic amide;
thiophenes
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone[no description available]medium10piperazines
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide[no description available]medium10aromatic amide;
heteroarene
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine[no description available]medium10piperazines
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline[no description available]medium10piperazines
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide[no description available]medium10benzothiazoles
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide[no description available]medium10nitro compound;
quinolines
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide[no description available]medium10pyrrolidines
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide[no description available]medium10benzamides
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene[no description available]medium10C-nitro compound;
sulfonamide;
toluenes		bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
6,3',4'-Trimethoxyflavanone[no description available]medium10ether;
flavonoids
1-[4-(3-ethoxyphenoxy)butyl]imidazole[no description available]medium10aromatic ether
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione[no description available]medium10phthalimides
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone[no description available]medium10sulfonamide
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide[no description available]medium10amidobenzoic acid
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid[no description available]medium10aromatic amide
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide[no description available]medium10quinolines
LSM-25805[no description available]medium10isoindoles
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide[no description available]medium10quinolines
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide[no description available]medium101-benzothiophenes
nsc 727447[no description available]medium10
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide[no description available]medium10acetamides
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide[no description available]medium10C-nitro compound;
thiazoles
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine[no description available]medium10methoxybenzenes
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide[no description available]medium10pyrrolidines
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide[no description available]medium10sulfonamide
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide[no description available]medium10C-nitro compound
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide[no description available]medium10nitrophenol
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide[no description available]medium10quinolines
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine[no description available]medium10C-nitro compound
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one[no description available]medium10
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide[no description available]medium10aromatic amide
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide[no description available]medium10aromatic amide;
thiazoles
ex 527[no description available]medium10carbazoles;
monocarboxylic acid amide;
organochlorine compound
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one[no description available]medium10indoles
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one[no description available]medium10phenylpyridine
3-methylharman[no description available]medium10
1-methyl-beta-carboline-3-carboxylic acid[no description available]medium10
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2-methyl-4(3h)-quinazolinone[no description available]medium10
n(4)-desoxychlordiazepoxide[no description available]medium10
2-amino-3-hydroxyphenazine[no description available]medium10
2-styrylquinazolin-4(3h)-one[no description available]medium10
2-amino-5-iodo-6-phenyl-4-pyrimidinone[no description available]medium10
quininib[no description available]medium10phenols;
styrylquinoline		angiogenesis inhibitor
bropirimine[no description available]medium10pyrimidines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one[no description available]medium10quinazolines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one[no description available]medium10quinazolines
3-cyanopyridine[no description available]low00nitrile;
pyridines
4-phenyl-3-furoxancarbonitrile[no description available]low001,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
anastrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
bicalutamide[no description available]low00(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
verapamil[no description available]low00aromatic ether;
nitrile;
polyether;
tertiary amino compound
carbonyl cyanide m-chlorophenyl hydrazone[no description available]low00hydrazone;
monochlorobenzenes;
nitrile		antibacterial agent;
geroprotector;
ionophore
cimaterol[no description available]low00benzenes;
nitrile
cimetidine[no description available]low00aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
citalopram[no description available]low002-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
cypermethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
dichlobanil[no description available]low00dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
carbonyl cyanide p-trifluoromethoxyphenylhydrazone[no description available]low00aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
fipronil[no description available]low00(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
letrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
milrinone[no description available]low00bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
nilvadipine[no description available]low00dihydropyridine;
isopropyl ester;
methyl ester;
nitrile
periciazine[no description available]low00hydroxypiperidine;
nitrile;
phenothiazines		adrenergic antagonist;
first generation antipsychotic;
sedative
zaleplon[no description available]low00nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
systhane[no description available]low00monochlorobenzenes;
nitrile;
triazoles
benzonitrile[no description available]low00benzenes;
nitrile
chloroacetonitrile[no description available]low00nitrile
benzyl cyanide[no description available]low00benzenes;
nitrile		animal metabolite;
pheromone
pirinitramide[no description available]low00nitrile
cyanamide[no description available]low00nitrile;
one-carbon compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
dicyandiamido[no description available]low00guanidines;
nitrile		curing agent;
explosive;
fertilizer;
flame retardant;
nitrification inhibitor
ricinine[no description available]low00nitrile;
pyridine alkaloid;
pyridone
toyocamycin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
2-cyanophenol[no description available]low00benzenes;
nitrile
1,3-dicyanobenzene[no description available]low00nitrile
diphenoxylate[no description available]low00ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
ioxynil[no description available]low00iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic
enbucrilate[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
nitrile
cyanophenphos[no description available]low00benzenes;
nitrile
difenoxin[no description available]low00nitrile;
piperidinemonocarboxylic acid;
tertiary amine		antidiarrhoeal drug
decamethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide
closantel[no description available]low00aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
fluvalinate[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
bezitramide[no description available]low00nitrile
d 888[no description available]low00aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent
cyanopyrazine[no description available]low00nitrile;
pyrazines
tetracyanoquinodimethane[no description available]low00alicyclic compound;
nitrile;
quinodimethane
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile[no description available]low00monochlorobenzenes;
nitrile;
triazoles
fludioxonil[no description available]low00benzodioxoles;
nitrile;
organofluorine compound;
pyrroles		androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist
fenpiclonil[no description available]low00dichlorobenzene;
nitrile;
pyrroles		antifungal agrochemical
chlorfenapyr[no description available]low00hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		proacaricide;
proinsecticide
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile[no description available]low00dimethoxybenzene;
nitrile;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
2,3-bis(4-hydroxyphenyl)-propionitrile[no description available]low00nitrile;
phenols		estrogen receptor agonist
cyfluthrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide
norverapamil[no description available]low00aromatic ether;
nitrile;
polyether;
secondary amino compound
taxiphyllin[no description available]low00beta-D-glucoside;
nitrile
thiacloprid[no description available]low00monochloropyridine;
nitrile;
thiazolidines		environmental contaminant;
neonicotinoid insectide;
xenobiotic
febuxostat[no description available]low001,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
3,4-epithiobutanenitrile[no description available]low00epithionitrile;
nitrile;
thiirane
cyc 682[no description available]low00nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
dhurrin[no description available]low00beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative;
nitrile
aminopotentidine[no description available]low00aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile[no description available]low00monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		acaricide;
antifouling biocide;
insecticide
prizes[no description available]low00carboxamidine;
monochloropyridine;
nitrile		environmental contaminant;
neonicotinoid insectide;
xenobiotic
l 778,123[no description available]low00imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
indole-3-acetonitrile[no description available]low00indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
bms 214662[no description available]low00benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
diclazuril[no description available]low00nitrile
ravuconazole[no description available]low001,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles		antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor
mesoxalonitrile[no description available]low00alpha-ketonitrile;
nitrile
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile[no description available]low00benzenes;
nitrile
crotononitrile[no description available]low00nitrile
2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile[no description available]low00nitrile;
organosulfur heterocyclic compound
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
trilostane[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile[no description available]low00nitrile;
organic sulfide;
organosulfur heterocyclic compound;
oxaspiro compound
iFSP1[no description available]low00aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile[no description available]low00benzenes;
nitrile
3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone[no description available]low00bromophenol;
nitrile;
pyridone
4-(1H-imidazol-1-ylmethyl)benzonitrile[no description available]low00benzenes;
nitrile
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile[no description available]low00monochlorobenzenes;
nitrile;
pyrimidone;
triazoles
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile[no description available]low00nitrile
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile[no description available]low00nitrile;
pyridines
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile[no description available]low00nitrile;
pyridines
2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile[no description available]low00benzenes;
nitrile
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile[no description available]low00benzenes;
nitrile
or 1259[no description available]low00hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
azoxystrobin[no description available]low00aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
fipronil sulfone[no description available]low00(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone		marine xenobiotic metabolite
4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile[no description available]low00biphenyls;
nitrile
nafadotride[no description available]low00aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist
entacapone[no description available]low002-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
cyhalothrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile[no description available]low00nitrile;
pyridines
ag-490[no description available]low00catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
alpha-cyano-4-hydroxycinnamic acid[no description available]low00monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
bay 11-7082[no description available]low00nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
bay 11-7085[no description available]low00benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
su 1498[no description available]low00enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide		vascular endothelial growth factor receptor antagonist
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile[no description available]low00nitrile
ekb 569[no description available]low00aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor
rilpivirine[no description available]low00aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
vilazodone[no description available]low001-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile		antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
isavuconazole[no description available]low001,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug
flonicamid[no description available]low00nitrile;
organofluorine compound;
pyridinecarboxamide		environmental contaminant;
insecticide;
xenobiotic
cyazofamid[no description available]low00imidazole fungicide;
imidazoles;
nitrile;
organochlorine compound;
sulfamides;
sulfonamide fungicide		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
hki 272[no description available]low00nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
perampanel[no description available]low00bipyridines;
nitrile;
pyridone		AMPA receptor antagonist;
anticonvulsant
tofacitinib[no description available]low00N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide[no description available]low001,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ethaboxam[no description available]low001,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes
bms 477118[no description available]low00adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
alogliptin[no description available]low00nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
cyflumetofen[no description available]low00(trifluoromethyl)benzenes;
2-methoxyethyl ester;
beta-ketoester;
nitrile
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
cyantraniliprole[no description available]low00nitrile;
organobromine compound;
organochlorine compound;
pyrazole insecticide;
pyridines;
secondary carboxamide		ryanodine receptor agonist
dactolisib[no description available]low00imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)[no description available]low00(trifluoromethyl)benzenes;
aromatic ketone;
beta-diketone;
cyclopropanes;
nitrile;
sulfone		agrochemical;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide
mdv 3100[no description available]low00(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
trelagliptin[no description available]low00benzenes;
nitrile
sulfoxaflor[no description available]low00nitrile;
organofluorine compound;
pyridines;
sulfoximide
cyenopyrafen[no description available]low00nitrile;
pivalate ester;
pyrazoles		agrochemical;
proacaricide
SL-327[no description available]low00(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent
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
incb-018424[no description available]low00nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
glasdegib[no description available]low00benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
baricitinib[no description available]low00azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
monepantel[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide		anthelminthic drug;
nematicide
GS-441524[no description available]low00aromatic amine;
C-nucleoside;
nitrile;
pyrrolotriazine		anticoronaviral agent;
antiviral agent;
drug metabolite
an2728[no description available]low00aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
tak-632[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis 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
delgocitinib[no description available]low00azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
lfm a13[no description available]low00aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
teriflunomide[no description available]low00(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor
GS-443902[no description available]low00aromatic amine;
C-nucleoside;
nitrile;
organic triphosphate;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
drug metabolite
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
s 8932[no description available]low00aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug
AZ3451[no description available]low00benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide		anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
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
nirmatrelvir[no description available]low00azabicyclohexane;
nitrile;
organofluorine compound;
pyrrolidin-2-ones;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Break-Bone Fever0low10
Breakbone Fever0low10
Classical Dengue0low10
Classical Dengue Fever0low10
Dengue0low10
Dengue Fever0low10
Malaria, Falciparum0low10
Plasmodium falciparum Malaria0low10