PXS-4728A

Ligand id: 9346

Name: PXS-4728A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.35
Molecular weight 280.16
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
Synonyms
PXS4728A
Database Links
PubChem CID 71812247
Search Google for chemical match using the InChIKey OWNSXNXYELKDSO-DHZHZOJOSA-N
Search Google for chemicals with the same backbone OWNSXNXYELKDSO
Search UniChem for chemical match using the InChIKey OWNSXNXYELKDSO-DHZHZOJOSA-N
Search UniChem for chemicals with the same backbone OWNSXNXYELKDSO
Comments
VAP-1/SSAO (gene symbol AOC3) is an endothelial bound adhesion molecule with amine oxidase activity that is reported to be involved in neutrophil egress from the microvasculature during inflammation. The primary reference [3] indicates potential of inhibiting this enzyme by PXS-4728A, as a therapeutic approach in lung diseases that are characterized by neutrophilic pattern of inflammation. A more recent paper reports PXS-4728A, suppression of airway inflammation and fibrosis as well as improved lung function in experimental COPD [1]. 39 analogoues are exemplified in [2] but without discrete activity values.