11b
A SARS-CoV-2 3C-like protease inhibitor.
General information
11b is a designed SARS-CoV-2 3C-like protease covalent peptidomimetic inhibitor (Dai et al., 2020).
11b on PubChem
Synonyms
SARS-CoV MPro-IN-1; peptidomimetic aldehydes 11b; N-((S)-3-(3-fluorophenyl)-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)propan-2-yl)-1H-indole-2-carboxamide
C1CNC(=O)[C@@H]1C[C@@H](C=O)NC(=O)[C@H](CC2=CC(=CC=C2)F)NC(=O)C3=CC4=CC=CC=C4N3
Supporting references
| Link | Tested on | Impact factor | Notes | Publication date |
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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. 0.04 μM and SARS-CoV-2 infection with an EC50 of ca. 0.72 μM and a SI of >139 in vitro. The compound showed good pharmacokinetic properties in animal models, but it displayed shorter half-life and faster clearance rate compared to 11a. |
Jun/19/2020 |
AI-suggested references
| Link | Publication date |
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Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations.
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Apr/29/2022 |
