11a
A SARS-CoV-2 3C-like protease inhibitor.
General information
11a is a designed SARS-CoV-2 3C-like protease covalent peptidomimetic inhibitor (Dai et al., 2020).
11a on PubChem
Synonyms
Peptidomimetic aldehydes 11a; N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)C3=CC4=CC=CC=C4N3
Supporting references
| Link | Tested on | Impact factor | Notes | Publication date |
|---|---|---|---|---|
|
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
3CLpro Crystallization Small molecule In vitro In silico |
in silico; in vitro enzyme assay; crystallization; CD-1 mice, Sprague-Dawley rats, and beagle dogs (pharmacokinetics and toxicity); Vero E6 cells; SARS-CoV-2 strain nCoV-2019BetaCoV/Wuhan/WIV04/2019 | 41.85 | The compound designed to covalently inhibit SARS-CoV-2 3C-like protease. It inhibited the enzyme with an IC50 of ca. 0.053 μM and SARS-CoV-2 infection with an EC50 of ca. 0.53 μM and a SI of >189 in vitro. The compound showed good pharmacokinetic properties and low toxicity in animal models. |
Jun/19/2020 |
