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

General Information of Drug (ID: DR1945)
Drug Name
Fenthion
Synonyms
Baytex; ENT 25,540; Fenthion 4E; Fenthion [BAN]; Fenthion [BSI:ISO]; Fenthion-methyl; Fenthione; Figuron; Lebaycid; Lebayeid; MPP (pesticide); Mercaptophos; Mosquitocide 700; Phenthion; Pro-Spot; Queletox; S 1752; Spotton; Sulfidophos; Talodex; Tiguvon; fenthion; 4-Methylmercapto-3-methylphenyl dimethyl thiophosphate; 55-38-9; B 29493; BAY 29493; Bay-Bassa; Baycid; Bayer 29493; Bayer 9007; Bayer S-1752; BL0L45OVKT; C10H15O3PS2; CCRIS 310; Caswell No. 456F; EINECS 200-231-9; Entex; HSDB 1403; NCI-C08651; OMS 2; UNII-BL0L45OVKT
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 278.3 Topological Polar Surface Area 85.1
Heavy Atom Count 16 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
3346
ChEBI ID
CHEBI:34761
CAS Number
55-38-9
Formula
C10H15O3PS2
Canonical SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
InChI
1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
InChIKey
PNVJTZOFSHSLTO-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-sulfoxide DM005880
19577
Unclear 1 [2]
Fenthion oxon DM005883
23046
Unclear 1 [2]
FEN-sulfone DM005881
19578
Unclear 2 [2]
Fenthion oxon sulfoxide DM005882
23047
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006302 Fenthion FEN-sulfoxide Unclear CYP ... [2]
MR006305 Fenthion Fenthion oxon Unclear CYP [2]
MR006303 FEN-sulfoxide FEN-sulfone Unclear CYP [2]
MR006304 FEN-sulfoxide Fenthion oxon sulfoxide Unclear CYP [2]
MR006306 Fenthion oxon Fenthion oxon sulfoxide Unclear FMO [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]
Flavin-containing monooxygenase (FMO) DMEN075 . Not Available Not Available [2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Km = 0.0016 microM
CP2A6_HUMAN
[2]
References
1 WHO Pesticide Residues Series.
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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