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. 2014 Feb 25;57(6):2393–2412. doi: 10.1021/jm401712t

Table 1. In Vitro Analysis of SARS-CoV PLpro Inhibition by 15g and Derivatives.

graphic file with name jm-2013-01712t_0010.jpg

compd isomera R1 R2 R3 IC50 (μM)b
15g R H H 3,4-O-CH2-O 0.67 ± 0.03
1a R,S Me H 3,4-O-CH2-O 17.2 ± 2.0
1b R,S OH H 3,4-O-CH2-O 32.0 ± 4.5
1c R,S OMe H 3,4-O-CH2-O >100
1d R,S Ph H 3,4-O-CH2-O >100
2a R H H H 2.2 ± 0.1
2b R H (R)-Me H 13.5 ± 1.2
2c R H (S)-Me H 12.7 ± 0.3
2d R H (R)-CH2-OMe H 18.0 ± 1.9
2e R H (S)-CH2-OMe H 1.9 ± 0.1
3a R H H 4-Et 0.47 ± 0.01
3b R H H 4-CO-NH-Me 0.60 ± 0.02
3c R H H 3-CO-NH-Me 0.63 ± 0.01
3d R H H 4-NH-CO-Me 5.7 ± 0.5
3e R H H 3-NH-CO-Me 0.39 ± 0.01
3f R H H 3-CH2-NH-CO-Me 20.4 ± 1.2
3g R H H 3-Cl 27.2 ± 4.1
3h R H H 4-Cl 0.58 ± 0.02
3i R H H 3,4-diF 29.2 ± 2.1
3j R H H 4-F 0.49 ± 0.01
3k R H H 3-F 0.15 ± 0.01
a

Chiral center.

b

Values are reported as mean ± standard deviation based on a minimum of triplicate measurements.