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
Comments
The discovery and activity of this compound is described in Demont et al (2014) [1].
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)

Product suppliers

Tocris
GSK 5959
Cat. No. 5385