compound 17 [PMID: 23916253]

Ligand id: 8666

Name: compound 17 [PMID: 23916253]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 173.56
Molecular weight 441.24
XLogP 0.91
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
Endoplasmic reticulum aminopeptidase 1 Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.6x10-6 M) [1]
Leucyl-cysteinyl aminopeptidase Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6x10-6 M) [1]
Endoplasmic reticulum aminopeptidase 2 Inhibitor Inhibition 5.1 pIC50 - 1
pIC50 5.1 (IC50 8.9x10-6 M) [1]