SWE101

Ligand id: 10494

Name: SWE101

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 63.33
Molecular weight 375.04
XLogP 5.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
Synonyms
compound 22b [PMID: 31436984]
Comments
SWE101 is a soluble epoxide hydrolase (sEH; EPHX2) inhibitor that selectively, and competitively targets the enzyme's phosphatase activity [2]. Its structure was developed from the scaffold of the NSAID oxaprozin which exhibits weak sEH-phosphatase inhibitory activity [1]. SWE101 is a tool compound that was designed to aid investigations of the physiological and pathophysiological role of sEH phosphatase activity in vivo.
Database Links
GtoPdb PubChem SID 387065576
Search Google for chemical match using the InChIKey UIADWSXPNFQQCZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UIADWSXPNFQQCZ
Search UniChem for chemical match using the InChIKey UIADWSXPNFQQCZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UIADWSXPNFQQCZ