apitolisib

Ligand id: 7888

Name: apitolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 162.07
Molecular weight 498.22
XLogP -1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
Surface plasmon resonance (SPR) analysis of target residence time (τ) reported by Willemsen-Seegers et al. (2016) confirms the pan-PI3K profile of apitolisib as evaluated by IC50 analysis in kinase assays [7].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mechanistic target of rapamycin kinase Inhibitor Inhibition 7.8 pKi - 5
pKi 7.8 (Ki 1.7x10-8 M) [5]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Inhibitor Inhibition 8.3 pIC50 - 5
pIC50 8.3 (IC50 4.8x10-9 M) [5]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Inhibitor Inhibition 8.2 pIC50 - 5
pIC50 8.2 (IC50 6.7x10-9 M) [5]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Inhibitor Inhibition 7.8 pIC50 - 5
pIC50 7.8 (IC50 1.4x10-8 M) [5]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Inhibitor Inhibition 7.6 pIC50 - 5
pIC50 7.6 (IC50 2.7x10-8 M) [5]
spleen associated tyrosine kinase Inhibitor Inhibition 6.9 pIC50 - 5
pIC50 6.9 (IC50 1.34x10-7 M) [5]
mitogen-activated protein kinase kinase kinase 9 Inhibitor Inhibition 6.6 pIC50 - 5
pIC50 6.6 (IC50 2.32x10-7 M) [5]
FGR proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 6.2 pIC50 - 5
pIC50 6.2 (IC50 6.97x10-7 M) [5]