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

1. Gromer S, Arscott LD, Williams Jr CH, Schirmer RH, Becker K. (1998)
Human placenta thioredoxin reductase. Isolation of the selenoenzyme, steady state kinetics, and inhibition by therapeutic gold compounds.
J. Biol. Chem., 273 (32): 20096-101. [PMID:9685351]
2. Hatano N, Suzuki H, Muraki Y, Muraki K. (2013)
Stimulation of human TRPA1 channels by clinical concentrations of the antirheumatic drug auranofin.
Am. J. Physiol., Cell Physiol., 304 (4): C354-61. [PMID:23220116]