Anti-SARS-CoV-2 activity on A549-ACE2 cells (RT-qPCR) and cell cytotoxicity of the 22 compounds, expressed as EC50 in μM, the concentration at which 50% inhibition of the maximal signal is observed at 95% confidence interval.
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Entry | R1 | R2 | Saturation on the LHS | RT-qPCR Beta EC50 (μM) [95% CI] | Cytotoxicity CC50 (μM) [95% CI] | Ratio cytotoxicity/RT-qPCR |
3a′ |
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— | Double bond | 16 (N/A) | 14 [2.8 to 73] | 0.9 |
3a |
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H | Double bond | 17 [13 to 23] | >50 | >3 |
3b′ |
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— | Double bond | 13 [7.2 to 24] | 6.6 [2.7 to 16] | 0.5 |
3b |
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H | Double bond | 3.7 [2.0 to 6.9] 3.5 [2.3to 5.6]a | 12 [10 to 15] | 3.3 |
>50a | ||||||
3c |
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H | Double bond | 8.3 [6.3 to 11] | 13 (N/A) | 1.6 |
5 | H | — | Saturated | >50 | >50 | N/A |
6 | Me | — | Saturated | >50 | >50 | N/A |
7 |
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— | Saturated | 8.4 [5.5 to 13] | 5.8 [3.0 to 11] | 0.7 |
8a |
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H | Saturated | 16 [5.2 to 51] | >50 | >3 |
8b |
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H | Saturated | 14 [8.5 to 22] | 20 [8.2 to 48] | 1.4 |
8c |
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H | Saturated | 37 [23 to 59] | >50 | 1.4 |
8d′ |
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— | Saturated | 5.3 [4.0 to 7.1] | 37 N/A | 6.9 |
8d |
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H | Saturated | 6.6 [4.3 to 10] | 12 [6.7 to 21] | 1.6 |
8e |
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H | Saturated | 5.6 N/A | 13 [7.6 to 21] | 2.3 |
8f |
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H | Saturated | >50 | >50 | N/A |
8h |
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H | Saturated | >17 | >50 | N/A |
9a |
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Saturated | >40 [N/A] | >50 [N/A] | N/A |
9b |
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Saturated | 6.2 [N/A] | 6.3 [3.7 to 11] | 1.0 |
9c | Me |
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Saturated | 20 [N/A] | 17 [14 to 18] | 0.8 |
9d |
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Saturated | >50 | >50 | N/A |
9e |
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Saturated | 1.4 [0.9 to 2.2] 4.4 [2.0 to 9.0]a | 7.7 [5.2 to 12] | 5.7 |
>20a | ||||||
10 |
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Double bond | >50 | — | N/A |
Assays against cells infected with SARS-CoV-2 variant Omicron BA1.