SODELGLITAZAR

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Synonyms
Status
Molecule Category Free-form
UNII 6G973E04VI
EPA CompTox DTXSID90196289

Structure

InChI Key ZUGQWAYOWCBWGM-UHFFFAOYSA-N
Smiles Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3F)nc2C)ccc1OC(C)(C)C(=O)O
InChI
InChI=1S/C23H21F4NO3S2/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)32-11-19-13(2)28-20(33-19)16-7-5-14(10-17(16)24)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21F4NO3S2
Molecular Weight 499.55
AlogP 7.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 59.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

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

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2104984
DrugBank DB16332
FDA SRS 6G973E04VI
PubChem 9805950
SureChEMBL SCHEMBL4822839
ZINC ZINC000001553281
CONTENTS