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
DrugBank ID
DB00829
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.