Structure

InChI Key JWAZHODZSADEHB-UHFFFAOYSA-M
Smiles CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO
InChI
InChI=1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClNO5
Molecular Weight 421.92
AlogP 3.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.6
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

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

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha

Description: Peroxisome proliferator-activated receptor alpha

Organism : Homo sapiens

Q07869 ENSG00000186951

Cross References

Resources Reference
ChEMBL CHEMBL1201745
FDA SRS 4BMH7IZT98
Guide to Pharmacology 2662
PubChem 11350701
ZINC ZINC00001984