compound 8e [PMID: 23044371]

Ligand id: 8780

Name: compound 8e [PMID: 23044371]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 81.7
Molecular weight 499.12
XLogP 8.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
SUMO1/sentrin specific peptidase 1 Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 1.856x10-6 M) [1]