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CHEBI:167314 - KOM70144

ChEBI IDCHEBI:167314
ChEBI NameKOM70144
Stars
DefinitionA benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 μM and 5.0 μM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 μM, respectively).
Last Modified26 January 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H22N2O2
Net Charge0
Average Mass346.430
Monoisotopic Mass346.16813
SMILESCC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1
InChIKeyKGPYBLOBHQLIET-OAHLLOKOSA-N
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
protease inhibitor  A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
ChEBI Ontology
Outgoing Relation(s)
KOM70144 (CHEBI:167314) has functional parent GRL-0617 (CHEBI:167176)
KOM70144 (CHEBI:167314) has role anticoronaviral agent (CHEBI:149553)
KOM70144 (CHEBI:167314) has role protease inhibitor (CHEBI:37670)
KOM70144 (CHEBI:167314) is a acetamides (CHEBI:22160)
KOM70144 (CHEBI:167314) is a benzamides (CHEBI:22702)
KOM70144 (CHEBI:167314) is a naphthalenes (CHEBI:25477)
KOM70144 (CHEBI:167314) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Synonyms  Source
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamideChEBI
(R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamideChEBI
5-N-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamideChEBI
Registry NumbersSources
CAS:1093070-14-4ChEBI
Citations