Synonyms
Status
Molecule Category UNKNOWN
UNII 7244710F59

Structure

InChI Key ULVDFHLHKNJICZ-QCWLDUFUSA-N
Smiles Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1
InChI
InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H26N2O5
Molecular Weight 470.53
AlogP 6.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 94.15
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Bioactivity

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST PubMed PubMed PubMed
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
Assay Description Organism Bioactivity Reference
Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells Homo sapiens 8.0 nM
Agonist activity at human PPARgamma transactivation expressed in human HePG2 cells Homo sapiens 4.0 nM
Agonist activity at human full length PPARalpha expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by firefly luciferase assay Homo sapiens 5.0 nM
Agonist activity at human full length PPARgamma expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by firefly luciferase assay Homo sapiens 4.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL592054
DrugBank DB12511
FDA SRS 7244710F59
Guide to Pharmacology 2675
PubChem 9890879
SureChEMBL SCHEMBL297183
ZINC ZINC000049756486