compound 82 [PMID: 21332118]

Ligand id: 8805

Name: compound 82 [PMID: 21332118]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 137.67
Molecular weight 476.02
XLogP 3.7
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!)

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 8.9 pKi - 1
pKi 8.9 (Ki 1.2x10-9 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Inhibitor Inhibition 8.9 pKi - 1
pKi 8.9 (Ki 1.2x10-9 M) [1]
mechanistic target of rapamycin kinase Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
DNA-dependent protein kinase catalytic subunit Inhibitor Inhibition 8.5 pKi - 1
pKi 8.5 (Ki 3x10-9 M) [1]
phosphatidylinositol 3-kinase catalytic subunit type 3 Inhibitor Inhibition 7.5 pKi - 1
pKi 7.5 (Ki 3.1x10-8 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 4.7x10-9 M) [1]