Details of the Drug

General Information of Drug (ID: DMKBZDP)

Drug Name
PMID27607364-Compound-4
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.74
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Clearance
The clearance of drug is 20 to 30 mL/min in young adults []
Half-life
The concentration or amount of drug in body reduced by one-half in 2 - 5 days [1]
Metabolism
The drug is metabolized via the CYP3A4 and 2C19 to the active metabolite N-desmethyldiazepam []
Vd
The volume of distribution (Vd) of drug is 0.8-1.0 L/kg []
Chemical Identifiers
Formula
C16H13ClN2O
IUPAC Name
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Canonical SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
AAOVKJBEBIDNHE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3016
ChEBI ID
CHEBI:49575
CAS Number
439-14-5
TTD ID
D0N9DS
ACDINA ID
D00190

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Ligand [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Electronic Medicines Compendium: Diazepam Tablets BP 2mg Monograph
2 Translocator protein (TSPO) ligands for the diagnosis or treatment of neurodegenerative diseases: a patent review (2010-2015; part 1).Expert Opin Ther Pat. 2016 Nov;26(11):1325-1351.