compound 16 [PMID: 19097778]

Ligand id: 8837

Name: compound 16 [PMID: 19097778]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 156.91
Molecular weight 406.13
XLogP 0.68
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
Solute carrier family 28 member 3 Inhibitor Inhibition 5.5 pKi - 1
pKi 5.5 (Ki 2.88x10-6 M) [1]