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

1. Dalpiaz A, Townsend-Nicholson A, Beukers MW, Schofield PR, Ijzerman AP. (1998)
Thermodynamics of full agonist, partial agonist, and antagonist binding to wild-type and mutant adenosine A1 receptors.
Biochem Pharmacol, 56: 1437-1445. [PMID:9827575]