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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Hs Inhibitor Inhibition 8.9 pKi - 1
pKi 8.9 (Ki 1.2x10-9 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Hs Inhibitor Inhibition 8.9 pKi - 1
pKi 8.9 (Ki 1.2x10-9 M) [1]
mechanistic target of rapamycin kinase Hs Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Hs Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
protein kinase, DNA-activated, catalytic subunit Hs Inhibitor Inhibition 8.5 pKi - 1
pKi 8.5 (Ki 3x10-9 M) [1]
phosphatidylinositol 3-kinase catalytic subunit type 3 Hs Inhibitor Inhibition 7.5 pKi - 1
pKi 7.5 (Ki 3.1x10-8 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 4.7x10-9 M) [1]