8-cyclopentyltheophylline

Ligand id: 385

Name: 8-cyclopentyltheophylline

Abbreviated name: CPT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 69.3
Molecular weight 248.13
XLogP 1.55
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!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
A1 receptor Antagonist Antagonist 7.5 – 8.0 pKi - 1
pKi 7.5 – 8.0 [1]