Structure

InChI Key KPSRODZRAIWAKH-UHFFFAOYSA-N
Smiles CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
InChI
InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14Cl2O3
Molecular Weight 289.16
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST PubMed PubMed PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
900 - - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha

Description: Peroxisome proliferator-activated receptor alpha

Organism : Homo sapiens

Q07869 ENSG00000186951

Cross References

Resources Reference
ChEBI 50867
ChEMBL CHEMBL557555
DrugBank DB09064
DrugCentral 658
FDA SRS F8252JGO9S
Guide to Pharmacology 3438
PubChem 2763
SureChEMBL SCHEMBL26870