devazepide

Ligand id: 878

Name: devazepide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 77.56
Molecular weight 408.16
XLogP 6.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
International Nonproprietary Names
INN number INN
6534 devazepide
Synonyms
BRN 5156082 | L-364,718 | L-364718 | MK-329
Database Links
CAS Registry No. 103420-77-5 (source: Scifinder)
ChEBI CHEBI:4460
ChEMBL Ligand CHEMBL39263
GtoPdb PubChem SID 135650466
PubChem CID 59751
Search Google for chemical match using the InChIKey NFHRQQKPEBFUJK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NFHRQQKPEBFUJK
Search PubMed clinical trials devazepide
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Search UniChem for chemical match using the InChIKey NFHRQQKPEBFUJK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NFHRQQKPEBFUJK
Wikipedia Devazepide
Comments
There is some ambiguity in representations of devazepide in the literature and in other databases. The structure shown here does not specify stereochemistry; however the INN-aligned structure for this compound specifies an 'S' configuration of the amino group in the centre of the molecule, giving systematic name (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (see CHEMBL9506).