Details of the Drug

General Information of Drug (ID: DMHAWYQ)

• Drug Name: Nordazepam
• Synonyms: Calmday; Chlordesmethyldiazepam; Dealkylprazepam; Demadar; Demethyldiazepam; Desalkylprazepam; N-Demethyldiazepam; N-Deoxydemoxapam; N-Deoxydemoxepam; N-Descyclopropylmethylprazepam; N-Desmethyldiazepam; N1-Desmethyldiazepam; Nordaz; Nordazepam; Nordazepam [INN]; Nordazepamum; Nordazepamum [INN-Latin]; Nordiazepam; Norprazepam; Praxadium; Ro 5-2180; Stilny; Vegesan; desmethyldiazepam; 1-Demethyldiazepam; 1088-11-5; 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; A 101; A101; DMDZ; Lomax; Madar; NSC 46078; Sopax

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Investigative	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.71
  Topological Polar Surface Area (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 0.12 mL/min/kg [3]
  Elimination: 0.5% of drug is excreted from urine in the unchanged form [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 46 hours [3]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.79154 micromolar/kg/day [4]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.03% [3]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.45 L/kg [3]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.057 mg/mL [2]
• Chemical Identifiers:
  Formula: C15H11ClN2O
  IUPAC Name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
  Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
  InChI: AKPLHCDWDRPJGD-UHFFFAOYSA-N
  InChIKey: 1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
• Cross-matching ID:
  PubChem CID: 2997
  ChEBI ID: CHEBI:111762
  CAS Number: 1088-11-5
  DrugBank ID: DB14028
  INTEDE ID: DR1173

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[6]

References

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• [22] Diclofenac and its derivatives as tools for studying human cytochromes P450 active sites: particular efficiency and regioselectivity of P450 2Cs. Biochemistry. 1999 Oct 26;38(43):14264-70.
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