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

Immunopharmacology Comments
Compound 1 is a small-molecule inhibitor of the protein-protein interaction between OX40 and OX-40 ligand. Preventing this receptor-ligand interaction has immunomodulatory potential.