Bioactive Compound Details

BioIDbio2154
NameNALUZOTAN HYDROCHLORIDE
ChEMBL IDCHEMBL2105647
Molecular FormulaC23H39ClN4O3S
Molecular Weight487.11
Molecular Weight (Monoisotopic)450.2665
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNALUZOTAN HCL|NALUZOTAN HYDROCHLORIDE
SmilesCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1.Cl
InchiInChI=1S/C23H38N4O3S.ClH/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21;/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28);1H
Inchi KeyQBACIVGQRFVOBZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.61
Records Key['NALUZOTAN HYDROCHLORIDE']
Records Name['NALUZOTAN HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure