Bioactive Compound Details

BioIDbio3219
NameMURAGLITAZAR
ChEMBL IDCHEMBL186179
Molecular FormulaC29H28N2O7
Molecular Weight516.55
Molecular Weight (Monoisotopic)516.1897
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBMS-298585|BMS-298585-01|MK-0478|MK0478|MURAGLITAZAR|Muraglitazar
SmilesCOc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
InchiInChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
Inchi KeyIRLWJILLXJGJTD-UHFFFAOYSA-N
Molecular SpeciesACID
Targets35.0
Bioactivities440.0
Np Likeness Score-0.96
Records Key['Muraglitazar', 'Muraglitazar', '[C14]-muraglitazar', '1, muraglitazar', 'muraglitazar', '1, muraglitazar', 'muraglitazar', '2', 'mura, muraglitazar', 'I', 'mura', '3a', 'MURAGLITAZAR', 'Muraglitazar', '2', '13', 'SID170466259', 'MURAGLITAZAR', 'Muraglitizar', 'EUB0001140a', 'EUB0001140a']
Records Name['Muraglitazar', 'Muraglitazar', '[C14]-2-((4-methoxyphenoxy)carbonyl)acetic acid', '((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid', 'muraglitazar', '2-[(4-methoxyphenoxycarbonyl)({3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid', 'muraglitazar', '((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid', '2-[(4-methoxyphenoxycarbonyl)({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid', 'Muraglitazar', 'Muraglitazar', 'Muraglitazar', 'MURAGLITAZAR', 'Muraglitazar', 'Muraglitazar', '((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid', 'SID170466259', 'MURAGLITAZAR', 'Muraglitizar', 'Muraglitazar', 'Muraglitazar']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure