compound 76 [PMID: 28657314]

Ligand id: 9609

Name: compound 76 [PMID: 28657314]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 131.72
Molecular weight 576.25
XLogP 6.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 76 binds to IL-15 (specifically to an IL-15 superagonist called RLI that is a fusion protein linking IL-15 to the IL-15Rα sushi domain [1], used to exclude this interface from the analysis), and is biologically active as an inhibitor of IL-15-induced Stat5 phosphorylation (IC50 57nM) and IL-15-induced proliferation of 32Dβ cells which express IL-2Rβ/γ. Unfortunately it also inhibits IL-2 activity in the same assays (IC50 43nM for inhibition of IL-2-induced Stat5 phosphorylation), so is not selective for IL-15 activity.
Selectivity at ligand targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
IL-15 Hs Antagonist Antagonist 4.7 pKd - 2
pKd 4.7 (Kd 2.18x10-5 M) [2]
Description: By SPR binding to the IL-15 superagonist RLI.