Bioactive Compound Details

BioIDbio2016
NameNone
ChEMBL IDCHEMBL522686
Molecular FormulaC22H18N2O3
Molecular Weight358.4
Molecular Weight (Monoisotopic)358.1317
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCAS 327978-52-9
SmilesCOc1ccc(-c2cc3ccccn3c2C(=O)c2cccnc2)c(OC)c1
InchiInChI=1S/C22H18N2O3/c1-26-17-8-9-18(20(13-17)27-2)19-12-16-7-3-4-11-24(16)21(19)22(25)15-6-5-10-23-14-15/h3-14H,1-2H3
Inchi KeyBKQAVWMYGLTNNH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities8.0
Np Likeness Score-0.83
Records Key['23, CAS No-327978-52-9']
Records Name['(2-(2,4-dimethoxyphenyl)indolizin-3-yl)(pyridin-3-yl)methanone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure