BPKDi

Ligand id: 9370

Name: BPKDi

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 96.17
Molecular weight 380.23
XLogP 2.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide
Synonyms
bipyridyl PKD inhibitor
Database Links
BindingDB Ligand 50324323
CAS Registry No. 1201673-28-0 (source: PubChem)
ChEMBL Ligand CHEMBL1214999
PubChem CID 46901383
Search Google for chemical match using the InChIKey XNWDRALEEPGBHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XNWDRALEEPGBHB
Search UniChem for chemical match using the InChIKey XNWDRALEEPGBHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XNWDRALEEPGBHB
Comments
BPKDi inhibits all three protein kinase D isozymes at low nanomolar concentrations [1]. This tool compound has been used to show that PKD acts to phosphorylate class IIa histone deacetylases in cardiomyocytes during cardiac hypertrophy. Inhibition of this action by BPKDi suppresses cardiomyocyte hypertrophy.