idelalisib

Ligand id: 6741

Name: idelalisib

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: idelalisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.8
Molecular weight 415.16
XLogP 4.45
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 delta Inhibitor Inhibition 8.6 pIC50 - 2
pIC50 8.6 (IC50 2.5x10-9 M) in vitro activity against recombinant enzyme [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Inhibitor Inhibition 7.1 pIC50 - 2
pIC50 7.1 (IC50 8.9x10-8 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5.65x10-7 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Inhibitor Inhibition 6.1 pIC50 - 2
pIC50 6.1 (IC50 8.2x10-7 M) [2]