compound 3 [PMID: 21650226]

Ligand id: 8745

Name: compound 3 [PMID: 21650226]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.7
Molecular weight 365.09
XLogP 5.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Database Links
ChEMBL Ligand CHEMBL1800139
PubChem CID 46836953
Search Google for chemical match using the InChIKey DBBGLVJTGXKCHY-WJDWOHSUSA-N
Search Google for chemicals with the same backbone DBBGLVJTGXKCHY
Search UniChem for chemical match using the InChIKey DBBGLVJTGXKCHY-WJDWOHSUSA-N
Search UniChem for chemicals with the same backbone DBBGLVJTGXKCHY
Comments
Compound 3 is reported as a thiazolidinedione analogue inhibitor of 15-hydroxyprostaglandin dehydrogenase (HPGD) [2]. This compound is also example 11 in patent US8637558 B2, which describes its use for the prevention or treatment of cardiovascular disease, gastrointestinal disease, renal disease and other conditions by increasing prostaglandin levels via inhibition of HPGD-induced prostaglandin metabolism [1].