compound 1 [PMID: 24930776]

Ligand id: 9092

Name: compound 1 [PMID: 24930776]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 323.97
Molecular weight 676.13
XLogP 3.83
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
Inhibition is selective for the OX40-OX-40 ligand interaction [1].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
OX40 Hs None Binding 5.9 pIC50 - 1
pIC50 5.9 (IC50 1.2x10-6 M) [1]