CHEBI:156041 - rac5c

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ChEBI Name rac5c
ChEBI ID CHEBI:156041
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C25H29N3O2
Net Charge 0
Average Mass 403.526
Monoisotopic Mass 403.22598
InChI InChI=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)
InChIKey MMIABLSMKGWQKD-UHFFFAOYSA-N
SMILES C12=CC=CC=C1C=CC=C2C(N3CCC(CC3)C(NCC=4C=C(N=CC4)OC)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
24568342 PubMed citation Europe PMC
Last Modified
14 July 2020