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CHEBI:747786 - ensitrelvir

Default Structure
ChEBI IDCHEBI:747786
ChEBI Nameensitrelvir
Stars
DefinitionAn antiviral medication used as a treatment for COVID-19, acting as an orally active 3C-like protease inhibitor.
Last Modified22 May 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H17ClF3N9O2
Net Charge0
Average Mass531.886
Monoisotopic Mass531.11458
SMILESCn1cnc(Cn2c(=O)n/c(=N\c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1
InChIInChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
InChIKeyQMPBBNUOBOFBFS-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
ensitrelvir (CHEBI:747786) has role anticoronaviral agent (CHEBI:149553)
ensitrelvir (CHEBI:747786) is a organonitrogen heterocyclic compound (CHEBI:38101)
Brand Name  Source
XocovaWikipedia
Manual XrefsDatabases
D12619KEGG DRUG
DB18834DrugBank