CGS 21680

Ligand id: 375

Name: CGS 21680

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 197.74
Molecular weight 499.22
XLogP 2.12
No. Lipinski's rules broken 3

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
A2A receptor Agonist Full agonist 6.7 – 8.1 pKi - 2-8,11
pKi 6.7 – 8.1 (Ki 1.99x10-7 – 7.94x10-9 M) [2-8,11]
A3 receptor Agonist Full agonist 6.0 – 7.2 pKi - 2,4-5,7,12
pKi 6.0 – 7.2 [2,4-5,7,12]
A1 receptor Agonist Full agonist 5.8 – 6.4 pKi - 4-5
pKi 5.8 – 6.4 [4-5]
A2B receptor Agonist Full agonist 3.4 – 5.0 pKi - 1,5,10
pKi 3.4 – 5.0 [1,5,10]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A2A receptor Agonist Agonist 7.7 pKi - 9
pKi 7.7 (Ki 1.9x10-8 M) [9]
A3 receptor Agonist Agonist 6.2 pKi - 9
pKi 6.2 (Ki 5.84x10-7 M) [9]
A1 receptor Agonist Agonist 5.7 pKi - 9
pKi 5.7 (Ki 1.8x10-6 M) [9]
A2B receptor Agonist Agonist <5.0 pKi - 9
pKi <5.0 (Ki >1x10-5 M) [9]