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Table 3 The inhibitory activity of parthenolide derivatives for template molecule 3

From: QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds

No. R1 R2 R3 R4 R5 IC50(µM) pIC50
35 OMe OMe H H H 1.74 5.7595
36 OMe H OMe H H 0.55 6.2596
37 OMe H H OMe H 0.26 6.5850
38 OMe H H H OMe 0.25 6.6021
39 H OMe OMe H H 1.95 5.7090
40 H OMe H OMe H 2.02 5.6946
41 OMe OMe OMe H H 1.77 5.7520
42 OMe H OMe OMe H 1.02 5.9914
43 OMe H OMe H OMe 1.09 5.9626
44 H OMe OMe OMe H 0.95 6.0223
45 F H H H F 1.59 5.7986
46 Cl H H H Cl 1.59 5.7986
47 Br H H H Br 1.50 5.8239