LERIGLITAZONE

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Synonyms
Status
Molecule Category Free-form
UNII K824X25AYA
EPA CompTox DTXSID30399914

Structure

InChI Key OXVFDZYQLGRLCD-UHFFFAOYSA-N
Smiles CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChI
InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N2O4S
Molecular Weight 372.45
AlogP 2.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 88.52
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor gamma agonist AGONIST PubMed
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 3
680 - 708 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
680 - 708 - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 82937
ChEMBL CHEMBL1267
DrugBank DB15021
FDA SRS K824X25AYA
PubChem 4147757
SureChEMBL SCHEMBL4098326
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