MURAGLITAZAR

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Synonyms
Status
Molecule Category Free-form
UNII W1MKM70WQI
EPA CompTox DTXSID9057719

Structure

InChI Key IRLWJILLXJGJTD-UHFFFAOYSA-N
Smiles COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
InChI
InChI=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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H28N2O7
Molecular Weight 516.55
AlogP 5.37
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 111.33
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
40-595 190-250 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
3-153 120-250 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3-595 120-250 - - -
Mus musculus
- - - - 53-68

Target Conservation

Protein: Peroxisome proliferator-activated receptor gamma
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170
Protein: Peroxisome proliferator-activated receptor alpha
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Cross References

Resources Reference
ChEMBL CHEMBL186179
DrugBank DB06510
FDA SRS W1MKM70WQI
PubChem 206044
SureChEMBL SCHEMBL676469
ZINC ZINC000049650290
CONTENTS