Ligand id: 9534

Name: ATB-346

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.64
Molecular weight 365.11
XLogP 5.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
ATB-346 is an H2S-releasing NSAID. The liberation of H2S has the potential to reduce the gastrointestinal damage caused by long-term use of traditional NSAIDs, and may also enhance the anti-cancer effects of the NSAID drug [6].
Immunopharmacology Disease
Disease X-Refs Comment References
Osteoarthritis Disease Ontology: DOID:8398
ATB-346 is a clinical trial candidate for OA.