CHEBI:149693 - N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide

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ChEBI Name N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide
ChEBI ID CHEBI:149693
ChEBI ASCII Name N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide
Definition A member of the class of benzotriazoles that is 1H-benzotriazole which is substituted by a 2-{[4-(2-methylpropanamido)phenyl][(thiophen-3-yl)methyl]amino}-2-oxoethyl group at position 1. It is a 3C-like protease inhibitor of SARS-CoV and bat coronavirus HKU4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C23H23N5O2S
Net Charge 0
Average Mass 433.530
Monoisotopic Mass 433.15725
InChI InChI=1S/C23H23N5O2S/c1-16(2)23(30)24-18-7-9-19(10-8-18)27(13-17-11-12-31-15-17)22(29)14-28-21-6-4-3-5-20(21)25-26-28/h3-12,15-16H,13-14H2,1-2H3,(H,24,30)
InChIKey LTKZCHKSOAHTRI-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1NC(=O)C(C)C)N(CC=2C=CSC2)C(CN3C=4C=CC=CC4N=N3)=O
Roles Classification
Biological Role(s): EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69).
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) has role anticoronaviral agent (CHEBI:149553)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) has role EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (CHEBI:147285)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) is a benzotriazoles (CHEBI:48912)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) is a dicarboxylic acid diamide (CHEBI:35779)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) is a secondary carboxamide (CHEBI:140325)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) is a tertiary carboxamide (CHEBI:140326)
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide (CHEBI:149693) is a thiophenes (CHEBI:26961)
IUPAC Name
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}-2-methylpropanamide
Citations Waiting for Citations Types Sources
24080461 PubMed citation Europe PMC
26055715 PubMed citation SUBMITTER
26190463 PubMed citation Europe PMC
Last Modified
11 May 2020