Skip to main content
. Author manuscript; available in PMC: 2021 Dec 22.
Published in final edited form as: Bioorg Med Chem. 2021 Nov 12;52:116504. doi: 10.1016/j.bmc.2021.116504

Table 3.

Optimization of nicotinonitrile side chain.

graphic file with name nihms-1758667-t0019.jpg
Compd # X R4 PANK3 IC50 (μM) ClogP LipE
35 N H 5.3 ± 0.76 3.28 2.18
36 N 3-CH3 2.3 ± 0.27 3.78 2.04
37 N 3-NH2 >10 2.95 –
38 N 5-CN 1.1 ± 0.11 2.91 3.17
39 N 4-CN 0.23 ± 0.03 2.91 3.46
40 N 3-NO2 0.02 ± 0.004 3.20 4.49
41 N 3-CF3 0.77 ± 0.14 4.31 1.88
42 N 3-Br 0.22 ± 0.04 4.23 2.44
43 N 3-Cl 0.22 ± 0.03 4.07 2.60
44 C 3-COCH3 3.3 ± 0.36 3.97 1.46
45 C 3-F 1.8 ± 0.22 4.54 1.39
46 C 2-Cl 1.7 ± 0.21 5.11 0.65
47 C 3,4-di-Cl 1.4 ± 0.4 5.76 –
48 C 3-CN 0.58 ± 0.08 4.06 2.25