Bioactive Compound Details

BioIDbio2854
NameNone
ChEMBL IDCHEMBL2324436
Molecular FormulaC26H25N3O
Molecular Weight395.51
Molecular Weight (Monoisotopic)395.1998
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-(N-Cinnamoylaminobutyl)Aminoacridine
SmilesO=C(/C=C/c1ccccc1)NCCCCNc1c2ccccc2nc2ccccc12
InchiInChI=1S/C26H25N3O/c30-25(17-16-20-10-2-1-3-11-20)27-18-8-9-19-28-26-21-12-4-6-14-23(21)29-24-15-7-5-13-22(24)26/h1-7,10-17H,8-9,18-19H2,(H,27,30)(H,28,29)/b17-16+
Inchi KeyQMTRJXKHEIELHU-WUKNDPDISA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score-0.39
Records Key['6a']
Records Name['9-(N-cinnamoylaminobutyl)aminoacridine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure