compound 48 [PMID: 25815140]

Ligand id: 8485

Name: compound 48 [PMID: 25815140]

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 151.57
Molecular weight 448.19
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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 transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Sodium/nucleoside cotransporter 2 Hs Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.4x10-7 M) [1]