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. Author manuscript; available in PMC: 2021 Nov 25.
Published in final edited form as: J Med Chem. 2020 Nov 11;63(22):14087–14117. doi: 10.1021/acs.jmedchem.0c01669

Table 2.

Inhibitory Activity of Early Triazoloquinazolinones Modified in Zones 3 and 4 at the Plk1 PBD (IC50 Values Are n = 3 Unless Noted in Parentheses) and Microsomal Half-Life, PAMPA Assays, and Aqueous Solubility

graphic file with name nihms-1654399-t0015.jpg
Cmpd R2 = IC50 (μM, ELISA) t1/2 (min, RLM) PAMPA (1e-6 cm/s) Solub. (μg/ml)
7 graphic file with name nihms-1654399-t0016.jpg 4.38 ± 0.41 (6) ND ND ND
20 Et 1.49 ± 0.22 (6) >30 427 >36
21 Pr 1.03 ± 0.08 (9) >30 37.0 21.3
22 graphic file with name nihms-1654399-t0017.jpg 1.31 ± 0.03 ND ND 19.4
23 Bu 1.03 ± 0.14 (5) >30 77.5 8.5
24 Pent 1.97 ± 0.11 (6) ND ND 4.2
25 graphic file with name nihms-1654399-t0018.jpg 1.73 ± 0.08 (6) ND ND 8.0
26 i-Pr 1.30 ± 0.06 ND ND 19.5
27 graphic file with name nihms-1654399-t0019.jpg 1.25 ± 0.11(5) >30, 82 23.3
28 graphic file with name nihms-1654399-t0020.jpg 1.75 ± 0.19 ND ND 31.2
29 graphic file with name nihms-1654399-t0021.jpg 1.68 ± 0.11 ND ND 15.5
30a graphic file with name nihms-1654399-t0022.jpg 3.23 ± 0.44 ND ND ND
31 graphic file with name nihms-1654399-t0023.jpg 3.90 ± 0.43 ND ND ND
32 graphic file with name nihms-1654399-t0024.jpg 2.92 ± 0.56 ND ND 30.8
33 graphic file with name nihms-1654399-t0025.jpg 1.85 ± 0.12 ND ND ND
34 graphic file with name nihms-1654399-t0026.jpg 3.54 ± 0.57 ND ND ND
a

Racemic. ND, not determined.