Details of the Drug

General Information of Drug (ID: DME1X96)

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-
ATC Code
N05BA25: Mexazolam
N05BA: Benzodiazepine derivatives
N05B: ANXIOLYTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 363.2
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1-2 h [1]
Elimination
Mexazolam is mainly eliminated in the bile and feces, with <10% eliminated as metabolites in the urine [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 76 hours [1]
Metabolism
The drug is metabolized to the active metabolites chloronordiazepam and chloroxazepam [1]
Chemical Identifiers
Formula
C18H16Cl2N2O2
IUPAC Name
10-chloro-11b-(2-chlorophenyl)-3-methyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Canonical SMILES
CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
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
Cross-matching ID
PubChem CID
4177
ChEBI ID
CHEMBL31842
CAS Number
31868-18-5
UNII
S5969B6237
DrugBank ID
DB15489
INTEDE ID
DR1077
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mexazolam: clinical efficacy and tolerability in the treatment of anxiety. Neurol Ther. 2014 Mar 29;3(1):1-14. doi: 10.1007/s40120-014-0016-7. eCollection 2014 Jun.
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.