compound 3 [PMID: 25408830]

Ligand id: 7811

Name: compound 3 [PMID: 25408830]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 65.12
Molecular weight 394.2
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
Database Links
ChEMBL Ligand CHEMBL1522313
GtoPdb PubChem SID 223366142
PubChem CID 15990224
RCSB PDB Ligand 9F9
Search Google for chemical match using the InChIKey LTUGYAOMCKNTGG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LTUGYAOMCKNTGG
Search UniChem for chemical match using the InChIKey LTUGYAOMCKNTGG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LTUGYAOMCKNTGG
SynPHARM 80630 (in complex with bromodomain and PHD finger containing 1)
Comments
The discovery and activity of this compound is described in Demont et al (2014) [1].