Bioactive Compound Details

BioIDbio2356
NameMERIOLIN 9
ChEMBL IDCHEMBL270346
Molecular FormulaC13H13N5O
Molecular Weight255.28
Molecular Weight (Monoisotopic)255.112
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCOc1ccnc2c1c(-c1ccnc(N)n1)cn2C
InchiInChI=1S/C13H13N5O/c1-18-7-8(9-3-5-16-13(14)17-9)11-10(19-2)4-6-15-12(11)18/h3-7H,1-2H3,(H2,14,16,17)
Inchi KeyCPQCGVRZSBLZLT-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities19.0
Np Likeness Score-0.41
Records Key['1g, meriolin 9', '48']
Records Name['3-[(2-amino)pyrimidin-4-yl]-4-methoxy-1-methyl-1H-pyrrolo[2,3-b]pyridine', '4-(4-methoxy-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure