Details of the Drug

General Information of Drug (ID: DM4OLRS)

Drug Name
Fenthion sulfoxide
Synonyms
FENTHION SULFOXIDE; FENTHION-SULFOXIDE; Fensulfoxide; Fenthionsulfoxide; Mesulfenfos; Mesulfenfos [ISO]; Mesulfenfos, (+)-; Mesulfenfos, (R)-; Mesulfenfos, (S)-; Mesulfenos; TM8HKU4HKN; 3761-41-9; BRN 2136026; O,O-Dimethyl O-((4-methylthio)-m-tolyl)phosphorothioate sulfoxide; O,O-Dimethyl O-(4-(methylsulfinyl)-m-tolyl) phosphorothioate; Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester; Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)-m-tolyl) ester; UNII-J04Q566L5K; UNII-TM8HKU4HKN
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 294.3
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H15O4PS2
IUPAC Name
dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
Canonical SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
InChI
InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
InChIKey
DLAPIMGBBDILHJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19577
CAS Number
3761-41-9
INTEDE ID
DR1946
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2A6 (CYP2A6)
Main DME 		DEJVYAZ CP2A6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The participation of human hepatic P450 isoforms, flavin-containing monooxygenases and aldehyde oxidase in the biotransformation of the insecticide fenthion. Toxicol Appl Pharmacol. 2008 Dec 1;233(2):343-52.