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CHEBI:167176 - GRL-0617

ChEBI IDCHEBI:167176
ChEBI NameGRL-0617
Stars
DefinitionA benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).
Last Modified26 January 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC20H20N2O
Net Charge0
Average Mass304.393
Monoisotopic Mass304.15756
SMILESCc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyUVERBUNNCOKGNZ-CQSZACIVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
protease inhibitor  A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
GRL-0617 (CHEBI:167176) has role anticoronaviral agent (CHEBI:149553)
GRL-0617 (CHEBI:167176) has role protease inhibitor (CHEBI:37670)
GRL-0617 (CHEBI:167176) is a benzamides (CHEBI:22702)
GRL-0617 (CHEBI:167176) is a naphthalenes (CHEBI:25477)
GRL-0617 (CHEBI:167176) is a secondary carboxamide (CHEBI:140325)
GRL-0617 (CHEBI:167176) is a substituted aniline (CHEBI:48975)
Incoming Relation(s)
KOM70144 (CHEBI:167314) has functional parent GRL-0617 (CHEBI:167176)
IUPAC Name 
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Synonyms  Source
5-amino-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamideChEBI
5-amino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamideChEBI
GRL 0617ChEBI
GRL0617ChEBI
Manual XrefsDatabases
TTTPDBeChem
Registry NumbersSources
CAS:1093070-16-6ChEBI
Citations