idelalisib

Ligand id: 6741

Name: idelalisib

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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 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 delta Hs 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 Hs Inhibitor Inhibition 7.1 pIC50 - 2
pIC50 7.1 (IC50 8.9x10-8 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5.65x10-7 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Hs Inhibitor Inhibition 6.1 pIC50 - 2
pIC50 6.1 (IC50 8.2x10-7 M) [2]