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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 270.71
Logarithm of the Partition Coefficient (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 [1]
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.12 mL/min/kg [2]
Elimination
0.5% of drug is excreted from urine in the unchanged form [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 46 hours [2]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.79154 micromolar/kg/day [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.03% [2]
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 [2]
Water Solubility
The ability of drug to dissolve in water is measured as 0.057 mg/mL [1]
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 [4]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 BDDCS applied to over 900 drugs
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
4 Sigmoidal kinetic model for two co-operative substrate-binding sites in a cytochrome P450 3A4 active site: an example of the metabolism of diazepam and its derivatives. Biochem J. 1999 Jun 15;340 ( Pt 3):845-53.
5 Effect of the gene dosage of CgammaP2C19 on diazepam metabolism in Chinese subjects. Clin Pharmacol Ther. 1999 Dec;66(6):642-6.