compound 9 [PMID: 1738140]

Ligand id: 8677

Name: compound 9 [PMID: 1738140]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 75.35
Molecular weight 264.18
XLogP 3.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
Database Links
ChEMBL Ligand CHEMBL309130
PubChem CID 44309732
Search Google for chemical match using the InChIKey WABAJXKDQWZIOJ-KGLIPLIRSA-N
Search Google for chemicals with the same backbone WABAJXKDQWZIOJ
Search UniChem for chemical match using the InChIKey WABAJXKDQWZIOJ-KGLIPLIRSA-N
Search UniChem for chemicals with the same backbone WABAJXKDQWZIOJ
Comments
Compound 9 selectively inhibits cytosolic aspartyl aminopeptidase (DNPEP) [1], relative to argininyl aminopeptidase (aminopeptidase B, RNPEP) and microsomal aminopeptidase N (ANPEP).