Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1946)
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
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 294.3 Topological Polar Surface Area 96.1
Heavy Atom Count 17 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
19577
CAS Number
3761-41-9
Formula
C10H15O4PS2
Canonical SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
FEN-sulfone DM005881
19578
Unclear 1 [2]
Fenthion oxon sulfoxide DM005882
23047
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006307 Fenthion sulfoxide FEN-sulfone Unclear CYP [2]
MR006308 Fenthion sulfoxide Fenthion oxon sulfoxide Unclear CYP [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Km = 0.018 microM
CP2A6_HUMAN
[2]
References
1 Aqueous photodegradation of fenthion by ultraviolet B irradiation: contribution of singlet oxygen in photodegradation and photochemical hydrolysis. Water Res. 2003 Jan;37(2):468-76.
2 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.

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