compound 1j [PMID: 26314925]

Ligand id: 8835

Name: compound 1j [PMID: 26314925]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 92.88
Molecular weight 502.06
XLogP 6.4
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
sphingomyelin synthase 1 Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 2.1x10-6 M) [1]