pentoxifylline

Ligand id: 7095

Name: pentoxifylline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 75.51
Molecular weight 278.14
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Although we have affinity data for this drug at the α2B-AR, we have been unable to find publicly available bioactivity data for this drug to substantiate its inhibition of PDEs. We have not tagged a primary drug target.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A2B receptor Antagonist Antagonist 5.3 pKi - 2
pKi 5.3 (Ki 5.18x10-6 M) [2]