5-Cl-5-deoxy-(±)-ENBA

Ligand id: 6560

Name: 5-Cl-5-deoxy-(±)-ENBA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 105.32
Molecular weight 379.14
XLogP 1.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Franchetti P, Cappellacci L, Vita P, Petrelli R, Lavecchia A, Kachler S, Klotz KN, Marabese I, Luongo L, Maione S et al.. (2009)
N6-Cycloalkyl- and N6-bicycloalkyl-C5'(C2')-modified adenosine derivatives as high-affinity and selective agonists at the human A1 adenosine receptor with antinociceptive effects in mice.
J. Med. Chem.52 (8): 2393-406. [PMID:19317449]