Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E0YMX3S4JD

Structure

InChI Key MRWFZSLZNUJVQW-DEOSSOPVSA-N
Smile CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O
InChI
InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29NO4S
Molecular Weight 439.58
AlogP 5.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 60.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fatty Liver 3 D005234 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 495399-09-2
ChEBI 134708
ChEMBL CHEMBL4297530
DrugBank DB13115
DrugCentral 5047
EPA CompTox DTXSID10197819
FDA SRS E0YMX3S4JD
PDB EWR
PubChem 60151560
SureChEMBL SCHEMBL16346340