LGB321

Ligand id: 9367

Name: LGB321

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 104.37
Molecular weight 457.17
XLogP 3.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Comments
LGB321 is a biochemically non-selective inhibitor of PIM serine/threonine kinases [1]. In cells, LGB321 is antiproliferative on PIM2-dependent multiple myeloma cells.
Database Links
BindingDB Ligand 106896
ChEMBL Ligand CHEMBL3105022
GtoPdb PubChem SID 328083469
PubChem CID 46179018
RCSB PDB Ligand 2HX
Search Google for chemical match using the InChIKey ODZZYKUYGVLOTQ-ONJZCGHCSA-N
Search Google for chemicals with the same backbone ODZZYKUYGVLOTQ
Search UniChem for chemical match using the InChIKey ODZZYKUYGVLOTQ-ONJZCGHCSA-N
Search UniChem for chemicals with the same backbone ODZZYKUYGVLOTQ
SynPHARM 83954 (in complex with Pim-1 proto-oncogene, serine/threonine kinase)