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

General Information of Drug (ID: DR5776)
Drug Name
Triclosan
Synonyms
triclosan; 3380-34-5; 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL; 2,4,4'-Trichloro-2'-hydroxydiphenyl ether; Irgasan; Cloxifenolum; Triclosanum; Irgasan DP300; Stri-Dex Face Wash; Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-; Lexol 300; Stri-Dex Cleansing Bar; 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol; Triclosanum [INN-Latin]; CH 3565; DP-300; Caswell No 186A; C12H7Cl3O2; UNII-4NM5039Y5X; HSDB 7194; CHEBI:164200; Ether, 2'-hydroxy-2,4,4'-trichlorodiphenyl; Phenyl ether, 2'-hydroxy-2,4,4'-trichloro-; EINECS 222-182-2; CHEMBL849; EPA; Aquasept; Cliniclean; Cloxifenol; Manusept; Sapoderm; TCL; Trisan; Clearasil DailyFace Wash; Dermtek Brand of Triclosan; GlaxoSmithKline Brand of Triclosan; Microshield T; Oxy Skin Wash; Pharmachem Brand of Triclosan; Reckitt Brand of Triclosan; SSL Brand of Triclosan; Ster Zac Bath Concentrate; SterZac Bath Concentrate; Trans Canaderm Brand of Triclosan; Triclosan Pharmachem Brand; Triclosan Reckitt Brand; IN1424; Irgasan DP 300; CH-3565; Johnson & Johnson Brand of Triclosan; Procter & Gamble Brand of Triclosan; Ster-Zac Bath Concentrate; Stri-Dex cleansing bar (TN); Triclosan (USP/INN); Triclosan [USAN:BAN:INN]; 2,4,4'-Trichloro-2'-hydroxy diphenyl ether; 2-Hydroxy-2',4,4'-trichlorodiphenyl Ether; WL-1001
Indication Malaria [ICD11: 1F40-1F45] Approved [1]
Infection of P. falciparum [ICD11: ICD11: 1F40-1F45] Investigative [2]
Trypanosomiasis [ICD11: ICD11: 1D51-1F53] Investigative [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 289.5 Topological Polar Surface Area 29.5
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5564
ChEBI ID
CHEBI:164200
CAS Number
3380-34-5
TTD Drug ID
D00CSQ
Formula
C12H7Cl3O2
Canonical SMILES
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKey
XEFQLINVKFYRCS-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 Metabolite P1 DM014973
16496
Unclear - Unclear 1 [5]
Triclosan Metabolite P2 DM014917
8449
Unclear - Unclear 1 [5]
Triclosan Metabolite P6 DM016371
85840590
Unclear - Unclear 1 [5]
Triclosan Metabolite P3 DM014993
26173
Unclear - Unclear 2 [5]
Triclosan Metabolite P4 DM016380
86215842
Unclear - Unclear 2 [5]
Triclosan Metabolite P7 DM018596 N. A. Unclear - Unclear 2 [5]
Triclosan Metabolite P5 DM018598 N. A. Unclear - Unclear 3 [5]
Triclosan Metabolite P8 DM018597 N. A. Unclear - Unclear 3 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010711 Triclosan Triclosan Metabolite P6 Unclear - Unclear Unclear [5]
MR010716 Triclosan Triclosan Metabolite P2 Unclear - Unclear Unclear [5]
MR010718 Triclosan Triclosan Metabolite P1 Unclear - Unclear Unclear [5]
MR010717 Triclosan Metabolite P2 Triclosan Metabolite P3 Unclear - Unclear Unclear [5]
MR010712 Triclosan Metabolite P6 Triclosan Metabolite P7 Unclear - Unclear Unclear [5]
MR010713 Triclosan Metabolite P6 Triclosan Metabolite P4 Unclear - Unclear Unclear [5]
MR010715 Triclosan Metabolite P4 Triclosan Metabolite P5 Unclear - Unclear Unclear [5]
MR010714 Triclosan Metabolite P7 Triclosan Metabolite P8 Unclear - Unclear Unclear [5]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[4]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 1B1 (CYP1B1) DME0023 Homo sapiens
CP1B1_HUMAN
1.14.14.1
[4]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C18 (CYP2C18) DME0017 Homo sapiens
CP2CI_HUMAN
1.14.14.1
[4]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
⏷ Show the Full List of 7  DME(s)
References
1 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
2 Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
3 Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
4 Cytochrome P450-mediated metabolism of triclosan attenuates its cytotoxicity in hepatic cells
5 Electrochemical simulation of triclosan metabolism and toxicological evaluation

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