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

General Information of Drug (ID: DR1077)
Drug Name
Mexazolam
Synonyms
Melex (TN); Mexazolam (JAN/INN); Mexazolam [INN:JAN]; Mexazolamum; Mexazolamum [INN-Latin]; Sedoxil; mexazolam; 10-Chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one; 10-Chloro-11b-(o-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one; 31868-18-5; AC1L1HL4; BRN 1091849; C18H16Cl2N2O2; CHEBI:31842; CS 386; CS-386; DSSTox_CID_31504; Melex; Oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one, 10-chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyl-
Indication Anxiety disorder [ICD11: 6B00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 363.2 Topological Polar Surface Area 41.6
Heavy Atom Count 24 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4177
ChEBI ID
CHEBI:31842
CAS Number
31868-18-5
Formula
C18H16Cl2N2O2
Canonical SMILES
CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKey
ANUCDXCTICZJRH-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
Chloronordiazepam DM002659
17925
Unclear 1 [1]
Chloroxazepam DM002660
3958
Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001665 Mexazolam Chloronordiazepam Unclear Unclear [1]
MR001666 Mexazolam Chloroxazepam Unclear Unclear [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Mexazolam: clinical efficacy and tolerability in the treatment of anxiety. Neurol Ther. 2014 Mar 29;3(1):1-14.
2 A comparison of the effects of 3-hydroxy-3-methylglutaryl-coenzyme a (HMG-CoA) reductase inhibitors on the CYP3A4-dependent oxidation of mexazolam in vitro. Drug Metab Dispos. 2001 Mar;29(3):282-8.

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