serabelisib

Ligand id: 8969

Name: serabelisib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 98.89
Molecular weight 363.13
XLogP 1.65
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

Bioactivity Comments
INK-1117 exhibits an antiproliferative effect in a panel of human and murine tumour models, in particular blocking proliferation of tumour cell lines bearing PI3Kα (PIK3CA) mutations, but is not inhibitory against cells bearing PTEN mutations [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Hs Inhibitor Inhibition >7.0 pIC50 - 1
pIC50 >7.0 (IC50 <1x10-7 M) [1]
mechanistic target of rapamycin kinase Hs Inhibitor Inhibition >5.0 pIC50 - 1
pIC50 >5.0 (IC50 <1x10-5 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Hs Inhibitor Inhibition >5.0 pIC50 - 1
pIC50 >5.0 (IC50 <1x10-5 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Hs Inhibitor Inhibition >5.0 pIC50 - 1
pIC50 >5.0 (IC50 <1x10-5 M) [1]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Hs Inhibitor Inhibition >5.0 pIC50 - 1
pIC50 >5.0 (IC50 <1x10-5 M) [1]