PIM447   Click here for help

GtoPdb Ligand ID: 9790

Synonyms: compound 8 [PMID: 26505898] | LGH-447 | LGH447 | PIM-447
PDB Ligand
Compound class: Synthetic organic
Comment: PIM447 is a potent and selective pan PIM kinase inhibitor [1], that is being investigated for clinical efficacy against hematological malignancies.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES CC1CC(N)CC(C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
Isomeric SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
InChI Key VRQXRVAKPDCRCI-ZNMIVQPWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Synonyms Click here for help
compound 8 [PMID: 26505898] | LGH-447 | LGH447 | PIM-447
Database Links Click here for help
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
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SynPHARM 84813 (in complex with Pim-1 proto-oncogene, serine/threonine kinase)