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

General Information of Drug (ID: DR2672)
Drug Name
Triclosan monophosphate
Synonyms Triclosan monophosphate; SCHEMBL121443; [5-chloro-2-(2,4-dichlorophenoxy)phenyl] dihydrogen phosphate; UWGXJEHVYAWNIK-UHFFFAOYSA-N
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 369.5 Topological Polar Surface Area 76
Heavy Atom Count 21 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9929261
Formula
C12H8Cl3O5P
Canonical SMILES
C1=CC(=C(C=C1Cl)OP(=O)(O)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
1S/C12H8Cl3O5P/c13-7-1-3-10(9(15)5-7)19-11-4-2-8(14)6-12(11)20-21(16,17)18/h1-6H,(H2,16,17,18)
InChIKey
UWGXJEHVYAWNIK-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
Triclosan DM005546
5564
Hydrolysis - Hydrolysis 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005913 Triclosan monophosphate Triclosan Hydrolysis - Hydrolysis MPs [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alkaline phosphatase (ALP) DME1774 Capnocytophaga gingivalis
A0A250FL93_9FLAO
3.1.3.1
[2]
microbial phosphatases (MPs) DMEN286 Bacteroides fragilis Not Available Not Available [2] , [3]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 9929261)
2 Hydrolysis of triclosan monophosphate by dental plaque and selected species of oral micro-organisms. J Dent Res. 1996 Aug;75(8):1578-84.
3 Effects of triclosan and triclosan monophosphate on maximum specific growth rates, biomass and hydrolytic enzyme production of Streptococcus sanguis and Capnocytophaga gingivalis in continuous culture

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