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. 2021 Dec 11;229:114046. doi: 10.1016/j.ejmech.2021.114046

Table 2.

Inhibitory potency against SARS-CoV-2 3CLpro. Optimization of R4.

Entry Cmpd R1 R4 Inhibition (%)a IC50 (μM)
1 8b Image 27 Image 28 33 ± 1 ndb
2 13b Image 29 Image 30 93 15.0 ± 9.3
3 6b Image 31 Image 32 68 ± 1 ndb
4 4b Image 33 Image 34 <5 ndb
5 13c Image 35 Image 36 88 9.7 ± 3.8
6 13d Image 37 Image 38 69 >30
7 16b Image 39 Image 40 >95 0.38 ± 0.09
8 16c Image 41 Image 42 >95 0.92 ± 0.24
9 11b Image 43 Image 44 16 ndb
9 14b Image 45 Image 46 >95 0.28 ± 0.10
10 14c Image 47 Image 48 >95 0.17 ± 0.07
11 14d Image 49 Image 50 >95 0.24 ± 0.15
12 14e Image 51 Image 52 >95 0.52 ± 0.16
13 14f Image 53 Image 54 >95 0.22 ± 0.08
14 14g (R,S) Image 55 Image 56 >95 0.32 ± 0.10
15 14h (S,S) Image 57 Image 58 >95 6.0 ± 2.7

3.

a

The enzyme activity was measured with 150 nM 3CLpro (114 nM after inhibitor addition) and 50 μM of each potential inhibitor with incubation time of 30 min.

b

Not determined.