Structure

InChI Key MQOBSOSZFYZQOK-UHFFFAOYSA-N
Smiles CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
InChI
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15ClO4
Molecular Weight 318.76
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - 94-420 334 -
Enzyme Oxidoreductase
- - - - 48
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 48
Rattus norvegicus
- - 94-420 334 -

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha

Description: Peroxisome proliferator-activated receptor alpha

Organism : Homo sapiens

Q07869 ENSG00000186951

Related Entries

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 83469
ChEMBL CHEMBL981
DrugBank DB13873
DrugCentral 4505
FDA SRS BGF9MN2HU1
Guide to Pharmacology 2662
PDB F5A
PubChem 64929
SureChEMBL SCHEMBL16377
ZINC ZINC000000001984