encenicline   Click here for help

GtoPdb Ligand ID: 6926

Synonyms: EVP 6124 | EVP-6124 | EVP6124
PDB Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9775 encenicline
Synonyms Click here for help
EVP 6124 | EVP-6124 | EVP6124
Database Links Click here for help
CAS Registry No. 550999-75-2 (source: Scifinder)
ChEMBL Ligand CHEMBL2151572
GtoPdb PubChem SID 178103508
PubChem CID 46196517
RCSB PDB Ligand I33
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UniChem Compound Search for chemical match using the InChIKey SSRDSYXGYPJKRR-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey SSRDSYXGYPJKRR-ZDUSSCGKSA-N
Wikipedia Encenicline