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 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
A2A receptor Rn Agonist Agonist 7.7 pKi - 9
pKi 7.7 (Ki 1.9x10-8 M) [9]
A2A receptor Hs 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 Hs Agonist Full agonist 6.0 – 7.2 pKi - 2,4-5,7,12
pKi 6.0 – 7.2 [2,4-5,7,12]
A3 receptor Rn Agonist Agonist 6.2 pKi - 9
pKi 6.2 (Ki 5.84x10-7 M) [9]
A1 receptor Hs Agonist Full agonist 5.8 – 6.4 pKi - 4-5
pKi 5.8 – 6.4 [4-5]
A1 receptor Rn Agonist Agonist 5.7 pKi - 9
pKi 5.7 (Ki 1.8x10-6 M) [9]
A2B receptor Rn Agonist Agonist <5.0 pKi - 9
pKi <5.0 (Ki >1x10-5 M) [9]
A2B receptor Hs Agonist Full agonist 3.4 – 5.0 pKi - 1,5,10
pKi 3.4 – 5.0 [1,5,10]