SARS-CoV-2-IN-1
An α-ketoamide inhibitor.
General information
SARS-CoV-2-IN-1 is a newly synthetized α-ketoamide inhibitor that binds to and strongly inhibits the SARS-CoV-2 3C-like protease. It was shown to inhibit the virus' replication in vitro and be present in murine lung tissue in satisfactory concentration (Zhang et al., 2020).
SARS-CoV-2-IN-1 on PubChem
Synonyms
α-ketoamide inhibitor 13b; 13b; CID 146026181; tert-butyl N-[1-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxopyridin-3-yl]carbamate
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCC4=CC=CC=C4
Supporting references
| Link | Tested on | Impact factor | Notes | Publication date |
|---|---|---|---|---|
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Potential inhibitors for the novel coronavirus (SARS-CoV-2)
3CLpro Small molecule In silico |
in silico | 8.99 | Predicted to inhibit the SARS-CoV-2 3C-like protease. |
Sep/18/2020 |
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Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
3CLpro Small molecule In vitro Mechanism |
in vitro enzyme assay; Calu-3 cells; CD-1 mice (pharmacokinetics only) | 41.85 | The newly synthetized compound exhibited inhibitory activity on the SARS-CoV-2 3C-like protease in an in vitro enzyme assay. It inhibited viral replication in cell culture and pharmacokinetic experiments showed that it is present in lung tissue in a satisfactory concentration (and can be applied in a nebulized form). |
Apr/24/2020 |
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Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease
3CLpro Small molecule In silico |
in silico | 5.07 | Predicted to inhibit the SARS-CoV-2 3C-like protease. The results suggested thant a bulky N-terminal protecting group introduced at the compound’s P4 position and a polar group added to the phenyl ring at P1’ site would improve its binding properties. |
Dec/09/2020 |
