Bioactive Compound Details

BioIDbio3122
NameENCENICLINE HYDROCHLORIDE
ChEMBL IDCHEMBL3137323
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31
Molecular Weight (Monoisotopic)320.075
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsENCENICLINE HYDROCHLORIDE|EVP-6124|EVP-6124 HYDROCHLORIDE
SmilesCl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1
InchiInChI=1S/C16H17ClN2OS.ClH/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);1H/t13-;/m0./s1
Inchi KeyOIJYTJGIDVTCFF-ZOWNYOTGSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score-1.16
Records Key['ENCENICLINE HYDROCHLORIDE', 'ENCENICLINE HYDROCHLORIDE', 'ENCENICLINE HYDROCHLORIDE', 'Encenicline hydrochloride', 'Encenicline hydrochloride']
Records Name['ENCENICLINE HYDROCHLORIDE', 'ENCENICLINE HYDROCHLORIDE', 'ENCENICLINE HYDROCHLORIDE', 'Encenicline hydrochloride', 'Encenicline hydrochloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure