PIK-108

Ligand id: 8968

Name: PIK-108

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.8
Molecular weight 364.18
XLogP 4.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one
Database Links
PubChem CID 54751698
RCSB PDB Ligand P08
Search Google for chemical match using the InChIKey VRCXIJAYLCUSHC-INIZCTEOSA-N
Search Google for chemicals with the same backbone VRCXIJAYLCUSHC
Search UniChem for chemical match using the InChIKey VRCXIJAYLCUSHC-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone VRCXIJAYLCUSHC
Comments
PIK-108 is an experimental allosteric inhibitor of the lipid modifying kinases, phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunits β and δ (PI3Kβ/δ) [1]. The compound binds at an allosteric site close to the mutation hotspot of H1047R in the mouse PI3Kα C-lobe, in addition to binding at the ATP-binding pocket [2].