PIM447

Ligand id: 9790

Name: PIM447

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 80.9
Molecular weight 440.18
XLogP 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Synonyms
compound 8 [PMID: 26505898] | LGH-447 | LGH447 | PIM-447
Comments
PIM447 is a potent and selective pan PIM kinase inhibitor [1], that is being investigated for clinical efficacy against hematological malignancies.
Database Links
BindingDB Ligand 106870
CAS Registry No. 1210608-43-7 (source: PubChem)
ChEMBL Ligand CHEMBL3651966
GtoPdb PubChem SID 354702263
PubChem CID 44814409
RCSB PDB Ligand 5H7
Search Google for chemical match using the InChIKey VRQXRVAKPDCRCI-ZNMIVQPWSA-N
Search Google for chemicals with the same backbone VRQXRVAKPDCRCI
Search UniChem for chemical match using the InChIKey VRQXRVAKPDCRCI-ZNMIVQPWSA-N
Search UniChem for chemicals with the same backbone VRQXRVAKPDCRCI
SynPHARM 84813 (in complex with Pim-1 proto-oncogene, serine/threonine kinase)