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
Ligand families/groups Non-steroidal anti-inflammatory ligands
Is prodrug? Yes
Active form H2S
Synonyms
ATB 346
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 [4,6-7,9-10].
Database Links
GtoPdb PubChem SID 336446920
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