Skip to main content
. 2021 Jun 2;26(11):3347. doi: 10.3390/molecules26113347

Table 1.

Activities of compounds A1–A4 in inhibition of the PD-1/PD-L1 interaction.

graphic file with name molecules-26-03347-i001.jpg

Compd. R1 Linker Inhibitory Rate (%) IC50 (nM) a MW ALogP b PSA b LE c
1 μM 0.1 μM
A1 CH3 graphic file with name molecules-26-03347-i002.jpg 90 56 113.6 339.22 2.38 33.90 0.38
A2 F graphic file with name molecules-26-03347-i003.jpg 6.7 8.5 N.D. 382.24 2.09 27.91 ND
A3 F graphic file with name molecules-26-03347-i004.jpg 96.2 74.5 18.4 405.21 5.05 32.70 0.35
A4 F graphic file with name molecules-26-03347-i005.jpg 98.0 71.0 21.9 406.21 4.86 45.59 0.36
BMS1058 0.48 d 753.33 4.04 132.41 0.24
BMS202 18.0 419.22 4.04 72.48 0.33

a The data were generated from two independent experiments. b Estimated physicochemical parameters by Discovery Studio [29]. c The results were calculated by the equation: LE = −1.35 logIC50/Nheavy atoms, Nheavy atoms is the number of non-H atoms. d This IC50 value is taken from the patent [18].