compound 1 [PMID: 25408830]

Ligand id: 7809

Name: compound 1 [PMID: 25408830]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 66.64
Molecular weight 205.09
XLogP 0.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
Synonyms
BAS 08314227
Database Links
ChEMBL Ligand CHEMBL1487662
GtoPdb PubChem SID 223366140
PubChem CID 1091852
RCSB PDB Ligand V1T
Search Google for chemical match using the InChIKey BRBLVCVSNVSPMT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BRBLVCVSNVSPMT
Search UniChem for chemical match using the InChIKey BRBLVCVSNVSPMT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BRBLVCVSNVSPMT
SynPHARM 80625 (in complex with bromodomain containing 4)
Comments
The discovery of this compound is described in Demont et al (2014) [1] DOI: 10.1021/ml5002932.