auranofin

Ligand id: 6306

Name: auranofin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 139.73
Molecular weight 678.13
XLogP 2.93
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!)

Bioactivity Comments
Auranofin inhibits thioredoxin reductase isolated from human placenta, with a Ki of 4nM [1].
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Activator Activation 6.0 pEC50 - 2
pEC50 6.0 [2]
Description: Calcium imaging
Conditions: HEK293 cells expressing human TRPA1 loaded with Fura-2