NAVEGLITAZAR

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Synonyms
Status
Molecule Category Free-form
UNII Y995M7GM0G

Structure

InChI Key OKJHGOPITGTTIM-DEOSSOPVSA-N
Smiles CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
InChI
InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26O6
Molecular Weight 422.48
AlogP 4.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 74.22
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST KEGG PubMed 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
361-400 33.96-34 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
361 34 - - -

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 CHEMBL181954
DrugBank DB12662
FDA SRS Y995M7GM0G
PubChem 9888484
SureChEMBL SCHEMBL2827844
ZINC ZINC000003950327
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