Bioactive Compound Details

BioIDbio2278
NameNone
ChEMBL IDCHEMBL1782168
Molecular FormulaC15H11N3O
Molecular Weight249.27
Molecular Weight (Monoisotopic)249.0902
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Azapaullone
SmilesO=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1
InchiInChI=1S/C15H11N3O/c19-14-7-10-11-8-16-6-5-13(11)18-15(10)9-3-1-2-4-12(9)17-14/h1-6,8,18H,7H2,(H,17,19)
Inchi KeyWOUDPYBESPZALS-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities17.0
Np Likeness Score-0.2
Records Key['6', '32; 9AZA']
Records Name['9-azapaullone', '9-Azapaullone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure