Structure

InChI Key KPSRODZRAIWAKH-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 52214-84-3
ChEBI 50867
ChEMBL CHEMBL557555
DrugBank DB09064
DrugCentral 658
EPA CompTox DTXSID8020331
FDA SRS F8252JGO9S
Guide to Pharmacology 3438
PubChem 2763
SureChEMBL SCHEMBL26870