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

General Information of Drug (ID: DR0048)
Drug Name
Adinazolam
Synonyms
ADINAZOLAM; Adinazolam [USAN]; Adinazolamum; Adinazolamum [INN-Latin]; Deracyn; GJSLOMWRLALDCT-UHFFFAOYSA-N; KN08449444; U 41,123; U 41123; U-41123; 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine; 37115-32-5; 8-Chloro-1-((dimethylamino)methyl)-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; 8-chloro-1-[(dimethylamino)methyl]-6-phenyl-4h-s-triazolo[4,3-a][1,4]benzodiazepine; C19H18ClN5; CHEBI:251412; UNII-KN08449444
Indication Anxiety disorder [ICD11: 6B00] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 351.8 Topological Polar Surface Area 46.3
Heavy Atom Count 25 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
37632
PubChem SID
8175130 ; 12013114 ; 14852028 ; 17396928 ; 34678912 ; 46509054 ; 48179686 ; 48404442 ; 50064737 ; 50874613 ; 57312080 ; 85444484 ; 103304585 ; 104327089 ; 117469085 ; 127963782 ; 134223599 ; 134338488 ; 134999582 ; 136350410 ; 137005585 ; 160963891 ; 179150397 ; 184545903 ; 198955325 ; 224774472 ; 226421674 ; 250138438 ; 252344773
ChEBI ID
CHEBI:251412
CAS Number
37115-32-5
TTD Drug ID
D0E7FS
Formula
C19H18ClN5
Canonical SMILES
CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChI
1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey
GJSLOMWRLALDCT-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
Alpha-hydroxyalprazolam DM001711
162244
Unclear 1 [2]
Desmethyladinazolam DM001710
12611937
Oxidation - N-Demethylation 1 [2]
Estazolam DM003058
3261
Unclear 1 [2]
N-demithyladinazolam DM001712 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002798 Adinazolam Desmethyladinazolam Oxidation - N-Demethylation CYP2C19 ... [2]
MR002799 Adinazolam Alpha-hydroxyalprazolam Unclear Unclear [2]
MR002800 Adinazolam N-demithyladinazolam Unclear Unclear [2]
MR002801 Adinazolam Estazolam Unclear Unclear [2]
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]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Characterization and in vitro phase I microsomal metabolism of designer benzodiazepines - an update comprising adinazolam, cloniprazepam, fonazepam, 3-hydroxyphenazepam, metizolam and nitrazolam. J Mass Spectrom. 2016 Nov;51(11):1080-1089.
2 Kinetic characterization and identification of the enzymes responsible for the hepatic biotransformation of adinazolam and N-desmethyladinazolam in man. J Pharm Pharmacol. 1998 Mar;50(3):265-74.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.