VER-246608

Ligand id: 9350

Name: VER-246608

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 115.65
Molecular weight 552.14
XLogP 5.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide
Database Links
PubChem CID 86280454
RCSB PDB Ligand SZ6
Search Google for chemical match using the InChIKey LCGNLQSOSJFLKR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LCGNLQSOSJFLKR
Search UniChem for chemical match using the InChIKey LCGNLQSOSJFLKR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LCGNLQSOSJFLKR
Comments
VER-246608 is a potent, selective and ATP-competitive, pan-isoform inhibitor of pyruvate dehydrogenase kinases (PDKs)[1]. Analysis of VER-246608 activity suggests that PDK inhibitors may be most effective within the nutrient-depleted tumour microenvironment, and may potentiate the activity of other chemotherapeutic agents.