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

General Information of Drug (ID: DR0302)
Drug Name
Chloroxylenol
Synonyms
Benzytol; Chloro-xylenol; Chloroxylenolum; Chlorxylenolum; Clorossilenolo; Cloroxilenol; Desson; Dettol; Dettol, liquid antiseptic; Espadol; Husept Extra; Nipacide MX; Ottasept; Ottasept Extra; Parametaxylenol; Phenol, 4-chloro-3,5-dimethyl-; RBA 777; Septiderm-Hydrochloride; Willenol V; chloroxylenol; p-Chloro-3,5-xylenol; p-Chloro-m-xylenol; parachlorometaxylenol; 2-Chloro-5-hydroxy-m-xylene; 2-Chloro-m-xylenol; 3,5-Dimethyl-4-chlorophenol; 4-Chloro-3,5-dimethylphenol; 4-Chloro-3,5-xylenol; 4-Chloro-m-xylenol; 88-04-0; PCMX
Indication Pseudomonas infection [ICD11: 1G40] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 156.61 Topological Polar Surface Area 20.2
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
2723
ChEBI ID
CHEBI:34393
CAS Number
88-04-0
Formula
C8H9ClO
Canonical SMILES
CC1=CC(=CC(=C1Cl)C)O
InChI
1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey
OSDLLIBGSJNGJE-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
Glucuronic acid DM002511 N. A. Conjugation - Glucuronidation 1 [3]
Sulfuric acid DM005849
1118
Conjugation - Glucuronidation 1 [3]
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006253 Chloroxylenol Glucuronic acid Conjugation - Glucuronidation UGT1A1 [3]
MR006254 Chloroxylenol Sulfuric acid Conjugation - Glucuronidation UGT1A1 [3]
MR006255 Chloroxylenol Unclear Unclear CYP2A6 ... [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]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
References
1 National Center for Advancing Translational Science-Inxight: drug (0F32U78V2Q)
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Fate of halogenated phenols in the organism

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