Bioactive Compound Details

BioIDbio2250
NameELLIPTINIUM
ChEMBL IDCHEMBL16699
Molecular FormulaC18H17N2O+
Molecular Weight277.35
Molecular Weight (Monoisotopic)277.1335
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-HYDROXY-2-METHYLELLIPTICINIUM|ELLIPTINIUM CATION|ELLIPTINIUM ION
SmilesCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12
InchiInChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
Inchi KeyYZQRAQOSAPWELU-UHFFFAOYSA-O
Molecular SpeciesNEUTRAL
Targets13.0
Bioactivities33.0
Np Likeness Score1.09
Records Key['HUM', '4', 'Elliptinium', '4 (celiptinium)', '48 (9-hydroxy-2-methylellipticine)', 'Formula 3', 'NMHE', 'N2-Me-9-OH-E(4)', '25']
Records Name['9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium (HUM)', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '(NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium', '2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure