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
Database Links
BindingDB Ligand 106896
ChEMBL Ligand CHEMBL3105022
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)
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.