compound 21 [PMID: 22802221]

Ligand id: 6918

Name: compound 21 [PMID: 22802221]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 126.91
Molecular weight 475.16
XLogP 5.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Immunopharmacology Comments
Compound 21 is an adenosine AT2 receptor agonist that exhibits vascular anti-inflammatory effects in vitro and in vivo [1].