Details of the Drug | DrugMAP

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
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 DLAPIMGBBDILHJ-UHFFFAOYSA-N InChIKey 1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
Cross-matching ID	PubChem CID 19577 CAS Number 3761-41-9 INTEDE ID DR1946

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]

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Molecular Interaction Atlas (MIA)

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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.