dactolisib

Ligand id: 7950

Name: dactolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.12
Molecular weight 469.19
XLogP 5.89
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 dactolisib as evaluated by IC50 analysis in kinase assays [4].
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 8.4 pIC50 - 2
pIC50 8.4 (IC50 4x10-9 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Inhibitor Inhibition 8.3 pIC50 - 2
pIC50 8.3 (IC50 5x10-9 M) [2]
mechanistic target of rapamycin kinase Inhibitor Inhibition 8.2 pIC50 - 2
pIC50 8.2 (IC50 6x10-9 M) [2]
Description: Measured as inhibition of downstream mTOR activated p70S6K
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [2]
ATR serine/threonine kinase Inhibitor Inhibition 7.7 pIC50 - 3
pIC50 7.7 (IC50 2.1x10-8 M) [3]