MRS5151

Ligand id: 5622

Name: MRS5151

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 162.49
Molecular weight 538.17
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
A3 receptor Hs Agonist Agonist 8.6 pKi - 1
pKi 8.6 (Ki 2.38x10-9 M) [1]
A3 receptor Mm Agonist Agonist 7.6 pKi - 1
pKi 7.6 (Ki 2.44x10-8 M) [1]
A2A receptor Hs Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A2A receptor Mm Agonist Agonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]
A1 receptor Mm Agonist Agonist 5.0 pKi - 1
pKi 5.0 (Ki 1.05x10-5 M) [1]
A1 receptor Hs Agonist Agonist 4.8 pKi - 1
pKi 4.8 (Ki 1.49x10-5 M) [1]