Bioactive Compound Details

BioIDbio2868
NameIOMAZENIL
ChEMBL IDCHEMBL2110679
Molecular FormulaC15H14IN3O3
Molecular Weight411.2
Molecular Weight (Monoisotopic)411.008
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsIOMAZENIL|RO 16-0154|RO-16-0154|RO16-0154
SmilesCCOC(=O)c1ncn2c1CN(C)C(=O)c1c(I)cccc1-2
InchiInChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3
Inchi KeyFRIZVHMAECRUBR-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities8.0
Np Likeness Score-0.44
Records Key['SID144206800', 'IOMAZENIL']
Records Name['SID144206800', 'IOMAZENIL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure