compound 48 [PMID: 25815140]

Ligand id: 8485

Name: compound 48 [PMID: 25815140]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 151.57
Molecular weight 448.19
XLogP 4.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
The IC50 value in the table below refers to the concentration of compound 48 required to inhibit inosine uptake by 50% [1].
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Sodium/nucleoside cotransporter 2 Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.4x10-7 M) [1]