Bioactive Compound Details

BioIDbio2114
NameLICOSTINEL
ChEMBL IDCHEMBL289832
Molecular FormulaC8H3Cl2N3O4
Molecular Weight276.04
Molecular Weight (Monoisotopic)274.9501
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsACEA 1021|ACEA-1021|ACEA1021|LICOSTINEL
SmilesO=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O
InchiInChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
Inchi KeyCHFSOFHQIZKQCR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities45.0
Np Likeness Score-0.95
Records Key['1', '17a', '72', '47', '2', 'LICOSTINEL', '6', '38', '6', '25', '1 ; ACEA 1021', '38', 'ACEA-1021', '1132']
Records Name['6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', 'LICOSTINEL', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quinoxalin-2-one', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione (ACEA 1021)', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', '6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione', None]
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure