compound 58 [PMID: 25037917]

Ligand id: 8520

Name: compound 58 [PMID: 25037917]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 404.14
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
PROT Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.8x10-8 M) [1]
DAT Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.1x10-6 M) [1]