encenicline   

GtoPdb Ligand ID: 6926

Synonyms: EVP 6124 | EVP-6124 | EVP6124
Compound class: Synthetic organic
Comment: This compound was developed as part of EnVivo Pharmaceuticals alpha-7 agonist program [3]. The compound exhibits good brain penetration and an adequate exposure time for clinical utility [3].
EnVivo changed its name to FORUM Pharmaceuticals Inc. in April 2014.
2D Structure
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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 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1cc2c(s1)c(Cl)ccc2)NC1CN2CCC1CC2
Isomeric SMILES O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2
InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
InChI Key SSRDSYXGYPJKRR-ZDUSSCGKSA-N
References
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]