INDEGLITAZAR

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Synonyms
Status
Molecule Category Free-form
UNII JMC809G4ZH

Structure

InChI Key YMPALHOKRBVHOJ-UHFFFAOYSA-N
Smiles COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1
InChI
InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19NO6S
Molecular Weight 389.43
AlogP 2.91
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor agonist AGONIST PubMed

Target Conservation

Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170
Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor delta
Organism : Homo sapiens
Q03181 ENSG00000112033
Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Cross References

Resources Reference
ChEMBL CHEMBL1232583
DrugBank DB07724
FDA SRS JMC809G4ZH
PDB ET1
PubChem 11395145
SureChEMBL SCHEMBL3019199
ZINC ZINC000039202807
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