regadenoson

Ligand id: 5596

Name: regadenoson

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 185.94
Molecular weight 390.14
XLogP -1.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A2A receptor Hs Agonist Agonist 6.5 pKi - 1
pKi 6.5 (Ki 2.9x10-7 M) [1]
A1 receptor Hs Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A2B receptor Hs Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A3 receptor Hs Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]