Bioactive Compound Details

BioIDbio3153
NameMIZACORAT
ChEMBL IDCHEMBL4207852
Molecular FormulaC27H28F2N4O3
Molecular Weight494.54
Molecular Weight (Monoisotopic)494.2129
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZD 9567|AZD-9567|AZD9567|MIZACORAT
SmilesCC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1
InchiInChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
Inchi KeyZQFNDBISEYQVRR-LOSJGSFVSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities54.0
Np Likeness Score-0.83
Records Key['15; AZD9567', 'MIZACORAT', 'MIZACORAT', 'AZD9567', 'AZD9567']
Records Name['2,2-difluoro-N-((1R,2S)-3-methyl-1-(1-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indazol-5-yloxy)-1-phenylbutan-2-yl)propanamide', 'MIZACORAT', 'MIZACORAT', '2,2-difluoro-N-((1R,2S)-3-methyl-1-((1-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indazol-5-yl)oxy)-1-phenylbutan-2-yl)propanamide', '2,2-difluoro-N-((1R,2S)-3-methyl-1-((1-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indazol-5-yl)oxy)-1-phenylbutan-2-yl)propanamide']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure