Structure

InChI Key IRLWJILLXJGJTD-UHFFFAOYSA-N
Smile COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
InChI
InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H28N2O7
Molecular Weight 516.55
AlogP 5.37
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 111.33
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 38.0

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 3 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 331741-94-7
ChEMBL CHEMBL186179
DrugBank DB06510
EPA CompTox DTXSID9057719
FDA SRS W1MKM70WQI
PubChem 206044
SureChEMBL SCHEMBL676469
ZINC ZINC000049650290