Ligand id: 436

Name: [125I]AB-MECA    

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 160.44
Molecular weight 525.06
XLogP 1.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A3 receptor Hs Agonist Full agonist 9.0 – 9.1 pKd - 2-3
pKd 9.0 – 9.1 (Kd 1x10-9 – 6x10-10 M) [2-3]
A3 receptor Rn Agonist Full agonist 8.9 pKd - 1
pKd 8.9 [1]
Ligand mentioned in the following text fields