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CHEBI:156041 - rac5c

ChEBI IDCHEBI:156041
ChEBI Namerac5c
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxylic acid with the amino group of 1-(2-methoxypyridin-4-yl)methanamine. It is a SARS-CoV-2 papain-like protease (PLpro) inhibitor.
Last Modified14 July 2020
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC25H29N3O2
Net Charge0
Average Mass403.526
Monoisotopic Mass403.22598
SMILESCOc1cc(CNC(=O)C2CCN(C(C)c3cccc4ccccc34)CC2)ccn1
InChIInChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)
InChIKeyMMIABLSMKGWQKD-UHFFFAOYSA-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)
rac5c (CHEBI:156041) has role anticoronaviral agent (CHEBI:149553)
rac5c (CHEBI:156041) has role protease inhibitor (CHEBI:37670)
rac5c (CHEBI:156041) is a aromatic ether (CHEBI:35618)
rac5c (CHEBI:156041) is a naphthalenes (CHEBI:25477)
rac5c (CHEBI:156041) is a piperidinecarboxamide (CHEBI:48592)
rac5c (CHEBI:156041) is a pyridines (CHEBI:26421)
rac5c (CHEBI:156041) is a secondary carboxamide (CHEBI:140325)
rac5c (CHEBI:156041) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[(2-methoxypyridin-4-yl)methyl]-1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
Citations