General
Preferred name
Auranofin
Synonyms
Ridaura, SKF39162 ()
P&D ID
PD009600
CAS
34031-32-8
Tags
available
drug
contains metal
Drug Status
approved
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Auranofin is a gold-containing complex, antirheumatic agent. It demonstrates potent antibacterial activity in vitro against Gram-positive bacteria and both replicating and nonreplicating Mycobacterium tuberculosis . (GtoPdb)
DESCRIPTION Transglutaminase 2 (TG2) inhibitor; reversible (Tocris Bioactive Compound Library)
DESCRIPTION Auranofin is a gold salt that is capable of eliciting pharmacologic actions that suppress inflammation and stimulate cell-mediated immunity. It has subsequently been listed by the World Health Organization as a member of the antirheumatic agent category. Auranofin appears to induce heme oxygenase 1 (HO-1) mRNA. Heme oxygenase 1 is an inducible heme-degrading enzyme with anti-inflammatory properties. (Enamine Bioactive Compounds)
Compound Sets
14
CeMM library of unique drugs (CLOUD)
CZ-OPENSCREEN Bioactive Library
DrugBank
DB00995
DrugBank Approved Drugs
DB00995
Enamine Bioactive Compounds
EBC-13193
Enamine BioReference Compounds
Guide to Pharmacology
6306
NCATS Inxight Approved Drugs
3H04W2810V
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
auranofin
Tocris Bioactive Compound Library
4600
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
678.13
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
1
Aromatic Ring Count
0
cLogP
2.79
TPSA
114.43
Fraction CSP3
0.8
Chiral centers
5.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Unknown molecular target
Others inhibitor
Inhibitor
Primary Target
Thioredoxin Reductases
Target
IKBKB, PRDX5, TRPA1
Bacterial,Thioredoxin Reductase
Source data