CCPA

Ligand id: 374

Name: CCPA

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 125.55
Molecular weight 369.12
XLogP 1.02
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
A1 receptor Rn Agonist Agonist 8.9 pKi - 3
pKi 8.9 (Ki 1.3x10-9 M) [3]
A1 receptor Hs Agonist Full agonist 7.7 – 8.1 pKi - 1,5
pKi 7.7 – 8.1 [1,5]
A3 receptor Hs Agonist Full agonist 7.4 pKi - 1-2
pKi 7.4 [1-2]
A3 receptor Rn Agonist Agonist 6.6 pKi - 3
pKi 6.6 (Ki 2.37x10-7 M) [3]
A2A receptor Rn Agonist Agonist 6.0 pKi - 3
pKi 6.0 (Ki 9.5x10-7 M) [3]
A2A receptor Hs Agonist Full agonist 5.6 pKi - 1-2
pKi 5.6 [1-2]
A2B receptor Hs Agonist Full agonist 4.4 – 4.7 pKi - 1,4
pKi 4.4 – 4.7 [1,4]