derenofylline

Ligand id: 3281

Name: derenofylline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 73.83
Molecular weight 308.16
XLogP 3.88
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
A1 receptor Hs Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]
A1 receptor Rn Antagonist Antagonist 8.6 pKi - 1
pKi 8.6 (Ki 2.51x10-9 M) [1]
A3 receptor Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 2x10-7 M) [1]
A2A receptor Hs Antagonist Antagonist 6.4 pKi - 1
pKi 6.4 (Ki 3.98x10-7 M) [1]
A2B receptor Rn Antagonist Antagonist 6.3 pKi - 1
pKi 6.3 (Ki 5.01x10-7 M) [1]
A2B receptor Hs Antagonist Antagonist 5.4 pKi - 1
pKi 5.4 (Ki 3.981x10-6 M) [1]