Details of the Drug

General Information of Drug (ID: DM170OH)

• Drug Name: Ketazolam
• Synonyms: Ketazolamum; Ketazolamum [INN-Latin]; Loftran; U 28774; U-28,774; Unakalm; Anseren; Ansieten; KETAZOLAM; 11-Chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-4H-(1,3)-oxazino(3,2-d)(1,4)benzodiazepine-4,7(6H)dione; 27223-35-4; 4H-(1,3)Oxazino(3,2-d)(1,4)benzodiazepine-4,7(6H)-dione, 8,12b-dihydro-11-chloro-2,8-dimethyl-12b-phenyl-; 4H-[1,3]Oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione, 11-chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-; Anxon; EINECS 248-346-3; NSC 338158
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.8
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Half-life: The concentration or amount of drug in body reduced by one-half in 26 - 200 hours [1]
  Metabolism: The drug is metabolized to diazepam, followed by demoxepam, and finally desmethyldiazepam []
• Chemical Identifiers:
  Formula: C20H17ClN2O3
  IUPAC Name: 11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione
  Canonical SMILES: CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C
  InChI: PWAJCNITSBZRBL-UHFFFAOYSA-N
  InChIKey: 1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
• Cross-matching ID:
  PubChem CID: 33746
  ChEBI ID: CHEBI:135556
  CAS Number: 27223-35-4
  DrugBank ID: DB01587
  INTEDE ID: DR0904

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]

References

• [1] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [2] Metabolic profile of oxazepam and related benzodiazepines: clinical and forensic aspects. Drug Metab Rev. 2017 Nov;49(4):451-463.