ATL802

Ligand id: 5616

Name: ATL802

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 115.39
Molecular weight 513.17
XLogP 3.98
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
A2B receptor Hs Antagonist Antagonist 8.6 pKi - 1
pKi 8.6 (Ki 2.36x10-9 M) [1]
A2B receptor Mm Antagonist Antagonist 8.1 pKi - 1
pKi 8.1 (Ki 8.58x10-9 M) [1]
A1 receptor Hs Antagonist Antagonist 6.4 pKi - 1
pKi 6.4 (Ki 3.69x10-7 M) [1]
A2A receptor Hs Antagonist Antagonist 6.2 pKi - 1
pKi 6.2 (Ki 6.54x10-7 M) [1]
A3 receptor Hs Antagonist Antagonist <6.0 pKi - 1
pKi <6.0 (Ki >1x10-6 M) [1]
A2A receptor Mm Antagonist Antagonist 5.1 pKi - 1
pKi 5.1 (Ki 8.393x10-6 M) [1]
A1 receptor Mm Antagonist Antagonist 5.0 pKi - 1
pKi 5.0 (Ki 9.583x10-6 M) [1]
A3 receptor Mm Antagonist Antagonist <5.0 pKi - 1
pKi <5.0 (Ki >1x10-5 M) [1]