cetilistat   Click here for help

GtoPdb Ligand ID: 11433

Synonyms: ATL-962 | ATL962 | Oblean®
Approved drug
cetilistat is an approved drug (Japan (213))
Compound class: Synthetic organic
Comment: Cetilistat (ATL-962) is an orally active anti-obesity drug, that was designed to inhibit gastrointestinal and pancreatic lipases [1-2]. Its mechanism of action is similar to that of orlistat.
SARS-CoV-2: in a large scale screen of approved drugs, cetilistat exhibited potent in vitro anti-SARS-CoV-2 activity (EC50 1.13 μM in a plaque reduction assay) and dose-dependently reduced viral load [4].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 16
Topological polar surface area 52.33
Molecular weight 401.29
XLogP 10.74
No. Lipinski's rules broken 2
Click here for help
Canonical SMILES CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C
Isomeric SMILES CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C
InChI InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
1. Gras J. (2013)
Cetilistat for the treatment of obesity.
Drugs Today (Barc), 49 (12): 755-9. [PMID:24524093]
2. Kopelman P, Bryson A, Hickling R, Rissanen A, Rossner S, Toubro S, Valensi P. (2007)
Cetilistat (ATL-962), a novel lipase inhibitor: a 12-week randomized, placebo-controlled study of weight reduction in obese patients.
Int J Obes (Lond.), 31 (3): 494-9. [PMID:16953261]
3. Yamada Y, Kato T, Ogino H, Ashina S, Kato K. (2008)
Cetilistat (ATL-962), a Novel Pancreatic Lipase Inhibitor, Ameliorates Body Weight Gain and Improves Lipid Profiles in Rats.
Horm Metab Res, 40 (8): 539-543. DOI: 10.1055/s-2008-1076699
4. Yuan S, Chan JFW, Chik KKH, Chan CCY, Tsang JOL, Liang R, Cao J, Tang K, Chen LL, Wen K et al.. (2020)
Discovery of the FDA-approved drugs bexarotene, cetilistat, diiodohydroxyquinoline, and abiraterone as potential COVID-19 treatments with a robust two-tier screening system.
Pharmacol Res, 159: 104960. [PMID:32473310]