Structure

InChI Key CXGTZJYQWSUFET-IBGZPJMESA-N
Smile CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
InChI
InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24O7S
Molecular Weight 408.47
AlogP 2.68
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 99.13
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 251565-85-2
ChEMBL CHEMBL282686
DrugBank DB06536
FDA SRS 6734037O3L
PDB AZ2
PubChem 208901
SureChEMBL SCHEMBL16594
ZINC ZINC000001550769