Bioactive Compound Details

BioIDbio3058
NameENCENICLINE
ChEMBL IDCHEMBL2151572
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85
Molecular Weight (Monoisotopic)320.075
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsENCENICLINA|ENCENICLINE|EVP-6124|Encenicline|MT-4666|MT4666
SmilesO=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1
InchiInChI=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 KeySSRDSYXGYPJKRR-ZDUSSCGKSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities23.0
Np Likeness Score-1.16
Records Key['ENCENICLINE', '75, EVP-6124', 'ENCENICLINE', 'EVP-6124', 'EVP-6124', '22, EVP-6124', 'ENCENICLINE', 'ENCENICLINE', 'EVP-6124', 'EVP-6124', 'COVC-0134286843', 'Encenicline hydrochloride']
Records Name['ENCENICLINE', '(3R)-7-chloro-N-quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide', 'ENCENICLINE', '(R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide', 'N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-chlorobenzo[b]thiophene-2-carboxamide', '(3R)-N-(1-Azabicyclo[2.2.2]oct-3-yl)-7-chlorobenzo[b]thiophene-2-carboxamide', 'ENCENICLINE', 'ENCENICLINE', 'Encenicline', '(R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide', 'EVP-6124_ENCENICLINE', 'Encenicline hydrochloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure