compound 13c [PMID: 20684591]

Ligand id: 9681

Name: compound 13c [PMID: 20684591]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 65.97
Molecular weight 388.24
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
Comments
Compound 13c [PMID: 20684591] is a potent, orally active and competitive inhibitor of all three isoforms of protein kinase D [2]. It is one of the chemical structures claimed in Novartis' patent WO2008122615 [1].
Database Links
BindingDB Ligand 50324315
ChEMBL Ligand CHEMBL1214998
GtoPdb PubChem SID 348353640
PubChem CID 25020250
Search Google for chemical match using the InChIKey DIZACSOTRSXCHC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DIZACSOTRSXCHC
Search UniChem for chemical match using the InChIKey DIZACSOTRSXCHC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DIZACSOTRSXCHC