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

General Information of Drug (ID: DR5164)
Drug Name
Halazepam
Synonyms
Halazepamum; Pacinone; Paxipam; Sch 12041; Schering 12041; Alapryl (TN); Halazepamum [INN-Latin]; Pacinone (TN); Paxipam (TN); Sch-12041; Halazepam (USAN/INN); Halazepam [USAN:BAN:INN]; 7-Chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one; 7-Chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one; 7=Chlor-5-phenyl-1-(2,2,2-trifluorethyl)-1H-1,4-benzodiazepin-2(3H)-on
Indication Anxiety disorder [ICD11: 6B00-6B0Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 352.7 Topological Polar Surface Area 32.7
Heavy Atom Count 24 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
31640
ChEBI ID
CHEBI:5603
CAS Number
23092-17-3
TTD Drug ID
D0Z9VB
Formula
C17H12ClF3N2O
Canonical SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(F)(F)F
InChI
InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
InChIKey
WYCLKVQLVUQKNZ-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
3-hydroxy-hazaepam DM014857
3082
Unclear - Unclear 1 [2]
Desmethyldiazepam DM000834
2997
Unclear - Unclear 1 [2]
Oxazepam DM003073
4616
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011025 Halazepam Desmethyl-diazepam Unclear - Unclear Unclear [2]
MR011027 Halazepam 3-hydroxy-hazaepam Unclear - Unclear Unclear [2]
MR011028 3-hydroxy-hazaepam Oxazepam Unclear - Unclear Unclear [2]
MR011026 Desmethyl-diazepam Oxazepam Unclear - Unclear Unclear [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7195).
2 Pharmacokinetics and metabolism of halazepam in naive and dependent dogs

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