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 GtoPdb and ChEMBL (where available) across species

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