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
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.
Database Links
GtoPdb PubChem SID 328083452
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