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 GtoPdb and ChEMBL (where available) across species

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