compound 3b [PMID: 24946214]

Ligand id: 8618

Name: compound 3b [PMID: 24946214]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 89.87
Molecular weight 330.18
XLogP 2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1R)-3-methyl-1-[3-(1-oxoisoquinolin-2-yl)propanoylamino]butyl]boronic acid
Database Links
ChEMBL Ligand CHEMBL3287940
PubChem CID 90645049
Search Google for chemical match using the InChIKey QCKLWTRAVKQTPI-HNNXBMFYSA-N
Search Google for chemicals with the same backbone QCKLWTRAVKQTPI
Search UniChem for chemical match using the InChIKey QCKLWTRAVKQTPI-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone QCKLWTRAVKQTPI
Comments
Compound 3b [1] is reported to inhibit the chymotrypsin-like (ChT-L) and post-glutamyl peptide hydrolyzing (PGHP) activities of the 20S proteasome [1].