Ligand id: 6926

Name: encenicline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 60.58
Molecular weight 320.08
XLogP 2.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mazurov AA, Speake JD, Yohannes D. (2011)
Discovery and development of α7 nicotinic acetylcholine receptor modulators.
J. Med. Chem., 54 (23): 7943-61. [PMID:21919481]
2. No authors listed. (2004)
Natalizumab: AN 100226, anti-4alpha integrin monoclonal antibody.
Drugs R D, 5 (2): 102-7. [PMID:15293871]
3. Prickaerts J, van Goethem NP, Chesworth R, Shapiro G, Boess FG, Methfessel C, Reneerkens OA, Flood DG, Hilt D, Gawryl M et al.. (2012)
EVP-6124, a novel and selective α7 nicotinic acetylcholine receptor partial agonist, improves memory performance by potentiating the acetylcholine response of α7 nicotinic acetylcholine receptors.
Neuropharmacology, 62 (2): 1099-110. [PMID:22085888]