ATB-346

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

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form H2S
Synonyms
ATB 346
Database Links
PubChem CID 25065981
Search Google for chemical match using the InChIKey YCNMAPLPQYQJFC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YCNMAPLPQYQJFC
Search UniChem for chemical match using the InChIKey YCNMAPLPQYQJFC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YCNMAPLPQYQJFC
Comments
ATB-346 a novel, orally available, GI-sparing hydrogen sulfide (H2S)-releasing anti-inflammatory drug in preclinical development for melanoma [2] and in clinical trial in osteoarthritis (preclinical findings in [3]). Structurally it is a non-steroidal anti-inflammatory (naproxen) covalently linked to an H2S-releasing moiety. ATB-346 is therefore an H2S prodrug.
H2S-releasing anti-inflammatory drugs are in development for their potential anti-inflammatory, cytoprotective and chemopreventative properties [4,6,8].