Compounds > 8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
Page last updated: 2024-09-28

8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione

Cross-References

ID SourceID
PubMed CID802513
CHEMBL ID1307835
CHEBI ID120758

Synonyms (15)

Synonym
HMS1484O22
MLS000534655 ,
smr000142172
8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
IDI1_022112
NCGC00178505-01
CHEMDIV3_004202
CHEBI:120758
AKOS000352007
CHEMBL1307835
CCG-21779
HMS2350O09
bdbm73405
cid_802513
Q27208896

Drug Classes (1)

ClassDescription
benzenesAny benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
[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 (21)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency10.00000.004023.8416100.0000AID485290
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency31.62280.177814.390939.8107AID2147
glp-1 receptor, partialHomo sapiens (human)Potency7.94330.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency56.23410.141337.9142100.0000AID1490
GLS proteinHomo sapiens (human)Potency10.00000.35487.935539.8107AID624170
Microtubule-associated protein tauHomo sapiens (human)Potency31.62280.180013.557439.8107AID1460
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency12.58930.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency15.84890.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency56.23410.531815.435837.6858AID504845
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency7.94330.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency8.19950.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency6.30960.035520.977089.1251AID504332
polyunsaturated fatty acid lipoxygenase ALOX12Homo sapiens (human)Potency17.78281.000012.232631.6228AID1452
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency100.00000.050127.073689.1251AID588590
VprHuman immunodeficiency virus 1Potency31.62281.584919.626463.0957AID651644
lamin isoform A-delta10Homo sapiens (human)Potency25.11890.891312.067628.1838AID1487
Polyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)Potency6.30960.316212.765731.6228AID881
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency6.30960.00638.235039.8107AID881
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ORF73Human gammaherpesvirus 8EC50 (µMol)75.00000.06008.134632.1400AID435023
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (21)

Processvia Protein(s)Taxonomy
lipid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
phospholipid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
apoptotic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell population proliferationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of macrophage derived foam cell differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonic acid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell migrationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
prostate gland developmentPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
regulation of epithelial cell differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of chemokine productionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of peroxisome proliferator activated receptor signaling pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of keratinocyte differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell cyclePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of growthPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
hepoxilin biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
endocannabinoid signaling pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cannabinoid biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipoxin A4 biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleic acid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipid oxidationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipoxygenase pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
iron ion bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
calcium ion bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
protein bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipid bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleate 13S-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonate 8(S)-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonate 15-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleate 9S-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Processvia Protein(s)Taxonomy
nucleusPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cytosolPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cytoskeletonPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
plasma membranePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
adherens junctionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
focal adhesionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
membranePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
extracellular exosomePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (17)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary 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.
AID504799Counterscreen for activators of the Protein Kinase A-R1A (PKA-R1A) complex: fluorescence polarization-based biochemical high throughput screening assay to identify fluorescence polarization assay artifacts2006Analytical chemistry, Dec-15, Volume: 78, Issue:24
Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504800Fluorescence polarization-based biochemical high throughput confirmation assay for activators of the Protein Kinase A-R1A (PKA-R1A) complex2006Analytical chemistry, Dec-15, Volume: 78, Issue:24
Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (25.00)29.6817
2010's5 (62.50)24.3611
2020's1 (12.50)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%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
cyclobutane-1,1-dicarboxylic acid[no description available]medium10cyclobutanedicarboxylic acid
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
quinethazone[no description available]medium10quinazolinesantihypertensive agent;
diuretic
n,n,n',n'-tetramethyl-4,4'-methylenedianiline[no description available]medium10diarylmethane
sulfan blue[no description available]medium10organic molecular entity
2-thymotic acid[no description available]medium10monoterpenoid
buspirone hydrochloride[no description available]medium10hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
e-250[no description available]medium10
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol[no description available]medium10piperidines
ici 204448[no description available]medium10
tosifen[no description available]medium10
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide[no description available]medium10aromatic ether
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide[no description available]medium10aromatic amide;
furans
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester[no description available]medium10isopropyl ester;
triazoles
5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
pseudoginsenoside f11[no description available]medium10
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester[no description available]medium10piperazines
2-[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol[no description available]medium10aminopyrimidine
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide[no description available]medium10pyrazoles;
ring assembly
2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione[no description available]medium10phthalimides
5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile[no description available]medium10oxazole
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide[no description available]medium10amino acid amide
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester[no description available]medium10oxopurine
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester[no description available]medium10quinazolines
4-ethylbenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]medium10benzoate ester
N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide[no description available]medium10organonitrogen compound;
organooxygen compound
nalbuphine hydrochloride[no description available]medium10hydrochloride
(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide[no description available]medium10(trifluoromethyl)benzenes
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide[no description available]medium10pyridopyrimidine
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]medium10methoxybenzenes;
substituted aniline
bucladesine[no description available]medium103',5'-cyclic purine nucleotide
cyclic amp, monosodium salt[no description available]medium10
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide[no description available]medium10acetamides;
anilide
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine[no description available]medium10triazoles
8-bromocyclic gmp, sodium salt[no description available]medium10organic sodium saltmuscle relaxant;
protein kinase G agonist
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
benzene[no description available]low00aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
phenylacetic acid[no description available]low00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
gallopamil[no description available]low00benzenes;
organic amino compound
mandelic acid[no description available]low002-hydroxy monocarboxylic acid;
benzenes		antibacterial agent;
human xenobiotic metabolite
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
bencyclane[no description available]low00benzenes
benzamidine[no description available]low00benzenes;
carboxamidine		serine protease inhibitor
benzyl isothiocyanate[no description available]low00benzenes;
isothiocyanate		antibacterial drug
benzylhydrochlorothiazide[no description available]low00benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
carbetapentane[no description available]low00benzenes
carbidopa[no description available]low00benzenes;
monocarboxylic acid
cetraxate[no description available]low00benzenes;
monocarboxylic acid
chlorpropham[no description available]low00benzenes;
carbamate ester;
monochlorobenzenes		herbicide;
plant growth retardant
cimaterol[no description available]low00benzenes;
nitrile
clofilium[no description available]low00benzenes;
organic amino compound
diphenidol[no description available]low00benzenes;
piperidines;
tertiary alcohol		antiemetic
cycloadiphenine[no description available]low00benzenes
fenipentol[no description available]low00benzenes
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]low00benzenes
lidocaine[no description available]low00benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
isocarboxazid[no description available]low00benzenes
labetalol[no description available]low00benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
methadone[no description available]low00benzenes;
diarylmethane;
ketone;
tertiary amino compound
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]low00benzenes;
monocarboxylic acid
metolachlor[no description available]low00aromatic amide;
benzenes;
ether;
organochlorine compound
nafoxidine[no description available]low00benzenes;
naphthalenes;
ring assembly
nicardipine[no description available]low00benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
phenprobamate[no description available]low00benzenes
sulfabenzamide[no description available]low00benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
sulfacytine[no description available]low00benzenes;
sulfonamide
sulfamonomethoxine[no description available]low00benzenes;
sulfonamide
sulfaquinoxaline[no description available]low00benzenes;
sulfonamide
2-phenylcyclopropan-1-amine[no description available]low00benzenes;
cyclopropanes;
primary amine
tyropanoate[no description available]low00benzenes;
monocarboxylic acid
tolazoline hydrochloride[no description available]low00benzenes
phenylethyl alcohol[no description available]low00benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
mebanazine[no description available]low00benzenes
phencyclidine[no description available]low00benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
caramiphen[no description available]low00benzenes
acetyl sulfisoxazole[no description available]low00benzenes;
sulfonamide
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
diphenyl[no description available]low00aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
styrene glycol[no description available]low00benzenes
sulfaethidole[no description available]low00benzenes;
sulfonamide
iophenoxic acid[no description available]low00benzenes;
monocarboxylic acid
benzotrichloride[no description available]low00benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent
benzal chloride[no description available]low00benzenes
benzoyl chloride[no description available]low00acyl chloride;
benzenes		carcinogenic agent
benzonitrile[no description available]low00benzenes;
nitrile
methylphenylsulfide[no description available]low00aryl sulfide;
benzenes
methyl phenylacetate[no description available]low00benzenes
ethyl phenylacetate[no description available]low00benzenes
phenyl isocyanate[no description available]low00benzenes;
isocyanates		allergen;
hapten
3-phenylpropanal[no description available]low00aldehyde;
benzenes		flavouring agent;
plant metabolite
1,4-diethylbenzene[no description available]low00benzenes
benzyl cyanide[no description available]low00benzenes;
nitrile		animal metabolite;
pheromone
pivalylbenzhydrazine[no description available]low00benzenes
mexacarbate[no description available]low00benzenes
carbutamide[no description available]low00benzenes;
sulfonamide
methaphenilene[no description available]low00benzenes
biphenylacetylene[no description available]low00arylacetylene;
benzenes		fluorochrome
beclamide[no description available]low00benzenes
mepiperphenidol[no description available]low00benzenes;
organic amino compound
glybuthiazol[no description available]low00benzenes;
sulfonamide
phenylacetylene[no description available]low00benzenes
sulfanilylurea[no description available]low00benzenes;
sulfonamide
metahexamide[no description available]low00benzenes;
sulfonamide
nitrosobenzene[no description available]low00benzenes;
nitroso compound		xenobiotic metabolite
triphenylphosphine[no description available]low00benzenes;
tertiary phosphine		NMR chemical shift reference compound;
reducing agent
2-cyanophenol[no description available]low00benzenes;
nitrile
bensulide[no description available]low00benzenes
1-phenylcyclohex-1-ene[no description available]low00benzenes
diphenyl disulfide[no description available]low00benzenes
2-phenylpropanol[no description available]low00benzenes
methyl phenyl sulfoxide[no description available]low00benzenes;
sulfoxide
2,6-dimethoxybenzoic acid[no description available]low00benzenes;
carbonyl compound
phenylphosphonic acid[no description available]low00benzenes
pyrazon[no description available]low00benzenes;
organochlorine compound;
primary amino compound;
pyridazinone		environmental contaminant;
herbicide;
xenobiotic
3-phenylpropylamine[no description available]low00benzenes;
phenylalkylamine;
primary amino compound
aminorex[no description available]low00benzenes
5-phenylvaleric acid[no description available]low00benzenes;
monocarboxylic acid
bitoscanate[no description available]low00benzenes
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
teclozan[no description available]low00benzenes
dioxacarb[no description available]low00benzenes
fenestrel[no description available]low00benzenes
propham[no description available]low00benzenes;
carbamate ester		herbicide;
plant growth retardant
cyanophenphos[no description available]low00benzenes;
nitrile
N'-methyl-N,N-diphenylurea[no description available]low00benzenes
dibenzo-18-crown-6[no description available]low00benzenes;
crown ether		phase-transfer catalyst
clobutinol[no description available]low00benzenes;
organic amino compound
phenyl acetate[no description available]low00benzenes;
phenyl acetates
ripazepam[no description available]low00benzenes
u 40481[no description available]low00benzenes;
formamidines		marine xenobiotic metabolite
iprodione[no description available]low00benzenes;
dichlorophenyl dicarboximide fungicide;
imidazole fungicide;
imidazolidine-2,4-dione;
ureas		antifungal agrochemical;
nematicide
clorsulon[no description available]low00benzenes;
sulfonamide
ibutilide[no description available]low00benzenes;
organic amino compound
prosulfocarb[no description available]low00benzenes;
monothiocarbamic ester		environmental contaminant;
herbicide;
xenobiotic
Isopropyl phenylacetate[no description available]low00benzenes
4-methyl-1-phenylpentan-2-ol[no description available]low00benzenes
magnesium salicylate[no description available]low00benzenes;
carbonyl compound
plerixafor[no description available]low00azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
tribuzone[no description available]low00benzenes
phenylpropiolic acid[no description available]low00acetylenic compound;
alpha,beta-unsaturated monocarboxylic acid;
benzenes
2-Oxo-4-phenylbutyric acid[no description available]low00benzenes
emopamil[no description available]low00benzenes;
organic amino compound
bathophenanthroline[no description available]low00benzenes;
phenanthrolines		chelator
2-aminobenzenesulfonamide[no description available]low00benzenes;
sulfonamide
3-phenylpropyl isothiocyanate[no description available]low00benzenes
4-chloro-5-sulfamoylanthranilic acid[no description available]low00benzenes;
sulfonamide
phenylheptatriyne[no description available]low00benzenes
methyl mandelate[no description available]low00benzenes
benzylphosphonic acid[no description available]low00benzenes
9,10-bis(phenylethynyl)anthracene[no description available]low00anthracenes;
arylacetylene;
benzenes		fluorochrome
4-phenylbutylamine[no description available]low00benzenes;
phenylalkylamine;
primary amino compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid[no description available]low00benzenes;
monocarboxylic acid
sdds[no description available]low00benzenes;
sulfonamide
1-hydroxy-1-phenyl-2-propanone[no description available]low00benzenes;
methyl ketone;
secondary alpha-hydroxy ketone
silomat[no description available]low00benzenes;
organic amino compound
phenylisopropyladenosine[no description available]low00aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
alpha-Cyclohexylmandelic acid[no description available]low00benzenes
1-amino-1-phenylmethyl phosphonic acid[no description available]low00benzenes;
phosphonic acids;
primary amino compound
alpha-methylphenylalanine[no description available]low00benzenes;
monocarboxylic acid
piscidic acid[no description available]low00benzenes;
monocarboxylic acid
mitiglinide[no description available]low00benzenes;
monocarboxylic acid
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide[no description available]low00benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye
4-phenylbutyl isothiocyanate[no description available]low00benzenes;
organic amino compound
n-acetylphenelzine[no description available]low00benzenes
forasartan[no description available]low00benzenes;
pyridines;
tetrazoles;
triazoles		angiotensin receptor antagonist;
antihypertensive agent
desethyloxybutynin[no description available]low00benzenes
varespladib[no description available]low00aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
3,5-dihydroxyphenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid
fukiic acid[no description available]low00benzenes;
monocarboxylic acid
monodesmethylcitalopram[no description available]low00benzenes;
organic amino compound
cyclodrine[no description available]low00benzenes
didesmethylcitalopram[no description available]low00benzenes;
organic amino compound
carlina oxide[no description available]low00benzenes
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione[no description available]low00benzenes
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile[no description available]low00benzenes;
nitrile
benzyl d-glucopyranoside[no description available]low00benzenes;
beta-D-glucoside		plant metabolite
cafenstrole[no description available]low00benzenes;
sulfone;
triazoles		agrochemical;
antimitotic;
herbicide
(5-Phenyl-1,2,4-triazol-3-yl)urea[no description available]low00benzenes
pifithrin mu[no description available]low00benzenes
2-(2-phenylethyl)chromone[no description available]low00benzenes;
chromones		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
N-bis(N-methylanilino)phosphoryl-N-methylaniline[no description available]low00benzenes
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile[no description available]low00benzenes;
nitrile
4,5-diphenyl-1,2,3-triazole[no description available]low00benzenes;
ring assembly;
triazoles
N-benzylquinazolin-4-amine[no description available]low00benzenes;
quinazolines;
secondary amino compound
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile[no description available]low00benzenes
thiobenzamide[no description available]low00benzenes
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine[no description available]low00aryl sulfide;
benzenes;
thienopyrimidine
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile[no description available]low00benzenes;
nitrile
N-methyl-N-phenylthiourea[no description available]low00benzenes
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine[no description available]low00benzenes
1-cyclohexyl-3-(2-phenylethyl)urea[no description available]low00benzenes
5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione[no description available]low00benzenes
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide[no description available]low00benzenes;
sulfonamide
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester[no description available]low00benzenes
1,3-bis(2-phenylethyl)thiourea[no description available]low00benzenes
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione[no description available]low00benzenes
4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione[no description available]low00benzenes
6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00benzenes;
triazolothiadiazole
4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione[no description available]low00benzenes
4-(1H-imidazol-1-ylmethyl)benzonitrile[no description available]low00benzenes;
nitrile
N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide[no description available]low00benzenes
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea[no description available]low00benzenes
N-(3-phenylpropyl)methanesulfonamide[no description available]low00benzenes
1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea[no description available]low00benzenes
N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]low00benzenes
amn082[no description available]low00benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent
2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide[no description available]low00benzenes
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine[no description available]low00benzenes
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione[no description available]low00benzenes
N1-phenethylhydrazine-1-carbothioamide[no description available]low00benzenes
1-hydroxy-5,5-dimethyl-2-phenyltetrahydro-4H-imidazole-4-thione[no description available]low00benzenes
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid[no description available]low00benzenes
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid[no description available]low00benzenes;
monocarboxylic acid
N-(cyclopropylmethyl)-N'-phenylurea[no description available]low00benzenes
2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile[no description available]low00benzenes;
nitrile
2-(4-pentylphenyl)acetic acid[no description available]low00benzenes
5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione[no description available]low00benzenes
k 858[no description available]low00benzenes
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile[no description available]low00benzenes;
nitrile
9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide[no description available]low00benzenes
N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide[no description available]low00benzenes
4-phenyl-3H-thiazole-2-thione[no description available]low00benzenes
sulfatolamide[no description available]low00benzenes;
sulfonamide
ifetroban[no description available]low00benzenes;
monocarboxylic acid
1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea[no description available]low00benzenes
2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester[no description available]low00benzenes;
pyranopyrazole
3-phenyl-3-(1-tetrazolyl)propanoic acid[no description available]low00benzenes;
monocarboxylic acid
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide[no description available]low00benzenes
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide[no description available]low00benzenes;
sulfonamide
N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide[no description available]low00benzenes
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide[no description available]low00benzenes;
sulfonamide
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione[no description available]low00benzenes
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione[no description available]low00benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]low00benzenes
N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline[no description available]low00benzenes;
sulfonamide
1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea[no description available]low00benzenes
neticonazole[no description available]low00aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
l796778[no description available]low00benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas		somatostatin receptor agonist
l803087[no description available]low00benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide		somatostatin receptor agonist
ro 4-6790[no description available]low00benzenes;
sulfonamide
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
gluconasturtiin[no description available]low00aralkylglucosinolic acid;
benzenes
DPI2[no description available]low00benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer
l 744832[no description available]low00benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector
glucotropeolin[no description available]low00aralkylglucosinolic acid;
benzenes
5-(4-phenylbutoxy)psoralen[no description available]low00aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker
ro 25-6981[no description available]low00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
bm 567[no description available]low00benzenes;
sulfonamide
varespladib methyl[no description available]low00aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
npi 2358[no description available]low002,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
chlorobactene[no description available]low00benzenes;
carotenoid phi-end group;
carotenoid		bacterial metabolite
ws-5995 c[no description available]low00benzenes;
naphthalenes;
ring assembly
phevalin[no description available]low00benzenes;
pyrazinone		bacterial metabolite;
calpain inhibitor
np 031112[no description available]low00benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
ym 216391[no description available]low001,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite
3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide[no description available]low00benzenes;
organic amino compound
SYC-435[no description available]low00benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
trelagliptin[no description available]low00benzenes;
nitrile
1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine[no description available]low00benzenes
5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione[no description available]low00benzenes
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide[no description available]low00benzenes
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine[no description available]low00benzenes
phenylmercuric acetate[no description available]low00arylmercury compound;
benzenes
sm 164[no description available]low00benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
5-Methyl-1-phenyl-3-hexanyl sulfamate[no description available]low00benzenes
1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea[no description available]low00benzenes;
organic amino compound
niraparib[no description available]low00benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide[no description available]low00benzenes
1,1,1,2,2-pentafluoro-7-phenylheptan-3-one[no description available]low00benzenes
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline[no description available]low00benzenes;
sulfonamide
difenacoum[no description available]low00benzenes;
naphthalenes;
ring assembly
warfarin[no description available]low00benzenes;
hydroxycoumarin;
methyl ketone
bromfenacoum[no description available]low00benzenes;
naphthalenes;
ring assembly
flocoumafen[no description available]low00benzenes;
naphthalenes;
ring assembly
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Encephalitis, Polio0low10
Epidemic Acute Poliomyelitis0low10
Infantile Paralysis0low10
Inflammation0low10
Innate Inflammatory Response0low10
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10