Bioactive Compound Details

BioIDbio1931
NameCAPESEROD
ChEMBL IDCHEMBL2027925
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93
Molecular Weight (Monoisotopic)456.1564
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCapeserod|SL65.0155|SL650155
SmilesNc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2
InchiInChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2
Inchi KeyMDBNTXARNGRHEV-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-0.96
Records Key['CAPESEROD']
Records Name['CAPESEROD']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure