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

1. Blackler R, Syer S, Bolla M, Ongini E, Wallace JL. (2012)
Gastrointestinal-sparing effects of novel NSAIDs in rats with compromised mucosal defence.
PLoS ONE7 (4): e35196. [PMID:22496907]
2. De Cicco P, Panza E, Ercolano G, Armogida C, Sessa G, Pirozzi G, Cirino G, Wallace JL, Ianaro A. (2016)
ATB-346, a novel hydrogen sulfide-releasing anti-inflammatory drug, induces apoptosis of human melanoma cells and inhibits melanoma development in vivo.
Pharmacol. Res.114: 67-73. [PMID:27777130]
3. Dief AE, Mostafa DK, Sharara GM, Zeitoun TH. (2015)
Hydrogen sulfide releasing naproxen offers better anti-inflammatory and chondroprotective effect relative to naproxen in a rat model of zymosan induced arthritis.
Eur Rev Med Pharmacol Sci19 (8): 1537-46. [PMID:25967731]
4. Elsheikh W, Blackler RW, Flannigan KL, Wallace JL. (2014)
Enhanced chemopreventive effects of a hydrogen sulfide-releasing anti-inflammatory drug (ATB-346) in experimental colorectal cancer.
Nitric Oxide41: 131-7. [PMID:24747869]
5. Fomenko I, Sklyarov A, Bondarchuk T, Biletska L, Panasyuk N, Wallace JL. (2014)
Effects of conventional and hydrogen sulfide-releasing non-steroidal anti-inflammatory drugs in rats with stress-induced and epinephrine-induced gastric damage.
Stress17 (6): 528-37. [PMID:25238023]
6. Gemici B, Elsheikh W, Feitosa KB, Costa SK, Muscara MN, Wallace JL. (2015)
H2S-releasing drugs: anti-inflammatory, cytoprotective and chemopreventative potential.
Nitric Oxide46: 25-31. [PMID:25461269]
7. Wallace JL, Caliendo G, Santagada V, Cirino G. (2010)
Markedly reduced toxicity of a hydrogen sulphide-releasing derivative of naproxen (ATB-346).
Br. J. Pharmacol.159 (6): 1236-46. [PMID:20128814]
8. Zheng Y, Ji X, Ji K, Wang B. (2015)
Hydrogen sulfide prodrugs-a review.
Acta Pharm Sin B5 (5): 367-77. [PMID:26579468]
9. Zheng Y, Yu B, Ji K, Pan Z, Chittavong V, Wang B. (2016)
Esterase-Sensitive Prodrugs with Tunable Release Rates and Direct Generation of Hydrogen Sulfide.
Angew. Chem. Int. Ed. Engl.55 (14): 4514-8. [PMID:26822005]