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

General Information of Drug (ID: DR1374)
Drug Name
Quazepam
Synonyms
Quazapam; Quazepamum; Quazepamum [INN-Latin]; Quazium; Sch 16134; Sch-16134; Selepam; Cetrane; Dormalin; JF8V0828ZI; Oniria; Prosedar; quazepam; 2H-1,4-Benzodiazepine-2-thione, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-; 36735-22-5; 7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepine-2-thione; 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione; BRN 0901084; CHEBI:8694; DEA No. 2881; Doral; EINECS 253-179-4; NSC 309702; UNII-JF8V0828ZI
Indication Insomnia [ICD11: 7A00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 386.8 Topological Polar Surface Area 47.7
Heavy Atom Count 25 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
4999
PubChem SID
9543 ; 454761 ; 5183363 ; 7847523 ; 7980443 ; 8153079 ; 12012678 ; 14829730 ; 29224072 ; 46505952 ; 49884069 ; 57322562 ; 58108231 ; 80003286 ; 103770455 ; 104307989 ; 128181117 ; 134222052 ; 134337979 ; 134999994 ; 137005122 ; 142426129 ; 160964827 ; 162946639 ; 175266458 ; 178103862 ; 179150392 ; 223440821 ; 226416562 ; 250127834
ChEBI ID
CHEBI:8694
CAS Number
36735-22-5
TTD Drug ID
D03NPH
Formula
C17H11ClF4N2S
Canonical SMILES
C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
InChI
1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
InChIKey
IKMPWMZBZSAONZ-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
2-Oxoquazepam DM003026
93250
Hydrolysis - Hydrolysis 1 [3]
3-hydroxy-2-oxoquazepam DM003027
135860
Oxidation - Hydroxylation 2 [3]
N-desalkyl flurazepam DM003029
4540
Unclear 2 [3]
3-hydroxy-2-oxoquazepam glucuronide DM003028
91810590
Conjugation - Glucuronidation 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002788 Quazepam 2-Oxoquazepam Hydrolysis - Hydrolysis CYP3A4 ... [3]
MR002785 2-Oxoquazepam 3-hydroxy-2-oxoquazepam Oxidation - Hydroxylation CYP3A4 ... [3]
MR002786 2-Oxoquazepam N-Desalkyl-2-oxoquazepam Unclear CYP3A4 ... [3]
MR002787 3-hydroxy-2-oxoquazepam 3-hydroxy-2-oxoquazepam glucuronide Conjugation - Glucuronidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
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
[3]
References
1 Quazepam was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Interaction between grapefruit juice and hypnotic drugs: comparison of triazolam and quazepam. Eur J Clin Pharmacol. 2006 Mar;62(3):209-15.
3 In vitro metabolism of quazepam in human liver and intestine and assessment of drug interactions. Xenobiotica. 2004 Nov-Dec;34(11-12):1001-11.

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