BPKDi   Click here for help

GtoPdb Ligand ID: 9370

Synonyms: bipyridyl PKD inhibitor
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 96.17
Molecular weight 380.23
XLogP 3.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1
Isomeric SMILES NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1
InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
InChI Key XNWDRALEEPGBHB-UHFFFAOYSA-N