ARI-3531

Ligand id: 8564

Name: ARI-3531

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 102.76
Molecular weight 319.17
XLogP 0.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S)-1-[(2R)-3-methyl-2-(pyridin-4-ylformamido)butanoyl]pyrrolidin-2-yl]boronic acid
Synonyms
compound 22 [PMID: 23594271]
Database Links
PubChem CID 91827371
Search Google for chemical match using the InChIKey MXZNUGFCDVAXLG-CHWSQXEVSA-N
Search Google for chemicals with the same backbone MXZNUGFCDVAXLG
Search UniChem for chemical match using the InChIKey MXZNUGFCDVAXLG-CHWSQXEVSA-N
Search UniChem for chemicals with the same backbone MXZNUGFCDVAXLG
Comments
ARI-3531 is reported to selectively inhibit prolyl endopeptidase (PREP) compared to fibroblast activation protein, alpha (FAP) [1]. The stereochemistry represented here matches that provided in the referenced article [1].