CH5132799

Ligand id: 7743

Name: CH5132799

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 135.81
Molecular weight 377.13
XLogP -0.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
CH5132799 exhibits potent anti-proliferative activity against tumour cell lines in vitro and promotes strong tumour regression in vivo, in a human breast cancer (KPL-4: PI3Kα H1047R) xenograft model in mice [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.6x10-8 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Inhibitor Inhibition 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.2x10-7 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5x10-7 M) [1]
mechanistic target of rapamycin kinase Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.6x10-6 M) [1]