Synonyms
Status
Molecule Category Free-form
UNII Y180U02GSB

Structure

InChI Key ORZMUVMQJPGFOM-UHFFFAOYSA-N
Smiles COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C20H17F3N2O5/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H17F3N2O5
Molecular Weight 422.36
AlogP 2.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 93.73
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

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

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 CHEMBL4297404
DrugBank DB12055
FDA SRS Y180U02GSB
PubChem 56842109