Details of the Drug

General Information of Drug (ID: DMQTEDP)

Drug Name

ETHIOFENCARB

Synonyms

Ethiofencarb; 29973-13-5; CRONETON; Arylmate; Kronetone; Croneton 500; Ethiophencarbe; Ethiofencarb [BSI:ISO]; alpha-Ethylthio-o-tolyl methylcarbamate; Hox 1901; 2-((Ethylthio)methyl)phenol methylcarbamate; 2-((Ethylthio)methyl)phenyl methylcarbamate; BAY-HOX-1901; Caswell No. 263AA; CHOX 1901; alpha-(Ethylthio)-o-tolyl methylcarbamate; UNII-FY0YB813XV; Ethiophencarbe [ISO-French]; 2-Ethylthiomethylphenyl N-methylcarbamate; HSDB 7140; (2-Ethylthiomethyl-phenyl)-N-methylcarbamate; EINECS 249-981-9

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

225.31

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C11H15NO2S
IUPAC Name: [2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate
Canonical SMILES: CCSCC1=CC=CC=C1OC(=O)NC
InChI: InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKey: HEZNVIYQEUHLNI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 34766
ChEBI ID: CHEBI:38483
CAS Number: 29973-13-5
TTD ID: D02XQX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hormone sensitive lipase (LIPE)	TTLUQ8E	LIPS_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of n... J Med Chem. 2008 Oct 23;51(20):6478-94.