Ligand id: 416


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 160.44
Molecular weight 399.17
XLogP 0.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
A3 receptor Hs Agonist Full agonist 7.7 pKi - 1-2
pKi 7.7 [1-2]
A2A receptor Hs Agonist Full agonist 5.4 pKi - 1
pKi 5.4 [1]