Details of the Drug | DrugMAP

General Information of Drug (ID: DMYB57J)

Drug Name	Triclosan monophosphate
Synonyms	Triclosan monophosphate; SCHEMBL121443; [5-chloro-2-(2,4-dichlorophenoxy)phenyl] dihydrogen phosphate; UWGXJEHVYAWNIK-UHFFFAOYSA-N
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			369.5
	Logarithm of the Partition Coefficient (xlogp)			3.7
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C12H8Cl3O5P IUPAC Name [5-chloro-2-(2,4-dichlorophenoxy)phenyl] dihydrogen phosphate Canonical SMILES C1=CC(=C(C=C1Cl)OP(=O)(O)O)OC2=C(C=C(C=C2)Cl)Cl InChI UWGXJEHVYAWNIK-UHFFFAOYSA-N InChIKey 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)
Cross-matching ID	PubChem CID 9929261 INTEDE ID DR2672

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Alkaline phosphatase (ALP)_{Main DME}	DEA9TJ6	A0A250FL93_9FLAO	Substrate	[1]

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Molecular Interaction Atlas (MIA)

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References

1	Hydrolysis of triclosan monophosphate by dental plaque and selected species of oral micro-organisms. J Dent Res. 1996 Aug;75(8):1578-84.