Cl-IB-MECA

Ligand id: 457

Name: Cl-IB-MECA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.42
Molecular weight 544.01
XLogP 2.38
No. Lipinski's rules broken 0

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
A3 receptor Agonist Full agonist 8.0 – 8.9 pKi - 1,3-4
pKi 8.0 – 8.9 [1,3-4]
A1 receptor Agonist Agonist 6.7 pKi - 2
pKi 6.7 (Ki 2.2x10-7 M) [2]
A2A receptor Agonist Agonist 5.3 pKi - 2
pKi 5.3 (Ki 5.36x10-6 M) [2]
A2B receptor Agonist Agonist <5.0 pKi - 5
pKi <5.0 (Ki >1x10-5 M) [5]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A3 receptor Agonist Agonist 9.7 pKi - 5
pKi 9.7 (Ki 1.8x10-10 M) [5]
A1 receptor Agonist Agonist 7.5 pKi - 5
pKi 7.5 (Ki 3.5x10-8 M) [5]
A2A receptor Agonist Agonist ~5.0 pKi - 5
pKi ~5.0 (Ki ~1x10-5 M) [5]
A2B receptor Agonist Agonist <5.0 pKi - 5
pKi <5.0 (Ki >1x10-5 M) [5]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A3 receptor Agonist Agonist 9.5 pKi - 5
pKi 9.5 (Ki 3.3x10-10 M) [5]
A1 receptor Agonist Agonist 6.6 pKi - 5
pKi 6.6 (Ki 2.8x10-7 M) [5]
A2A receptor Agonist Agonist 6.3 pKi - 5
pKi 6.3 (Ki 4.7x10-7 M) [5]