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].
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (213))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8461 cetilistat
Synonyms Click here for help
ATL-962 | ATL962 | Oblean®
Database Links Click here for help
CAS Registry No. 282526-98-1 (source: WHO INN record)
DrugBank Ligand DB06586
GtoPdb PubChem SID 440816802
PubChem CID 9952916
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