regadenoson

Ligand id: 5596

Name: regadenoson

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 186.46
Molecular weight 390.14
XLogP -2.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A2A receptor Agonist Agonist 6.5 pKi - 1
pKi 6.5 (Ki 2.9x10-7 M) [1]
A1 receptor Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A2B receptor Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A3 receptor Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]