Ligand Id: 878
Ligand name devazepide

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


Summary Biological activity References Structure Similar ligands (Un)labelled forms
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-364718
MK-329
Database Links
CAS Registry No. 103420-77-5 (source: Scifinder)
ChEBI CHEBI:4460
ChEMBL Ligand 105535
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
Search PubMed titles devazepide
Search PubMed titles/abstracts devazepide
Wikipedia Devazepide
ZINC ZINC00586243
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.

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