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Table 4 Sub-micromolar hits identified from screening the DDU focused kinase library were grouped into 9 compound series

From: Screening a protein kinase inhibitor library against Plasmodium falciparum

Series ID
MMV02 MMV03 MMV04
Compound A0002 A0003 A0004
EC50 P. falciparum (μM) 0.2 0.6 0.7
EC50 MRC5 cells (μM) 6 > 15 > 15
cLogP 4 3.2 2.9
cLogD 4 3.2 2.9
TPSA (Å2) 51 60 68
MW 342 346 405
Heavy Atoms 26 25 26
No. of examples < 1 μM 1 1 2
Validated hit series Yes Yes Yes
Series ID
MMV05 MMV06 MMV08
Compound A0005 A0006 A0008
EC50 P. falciparum (μM) 0.01 0.04 0.6
EC50 MRC5 cells (μM) 1 > 15 0.02
cLogP 5.4 4.2 5.7
cLogD 5.4 4.2 5.7
TPSA (Å2) 71 57 70
MW 407 355 382
Heavy Atoms 31 27 27
No. of examples < 1μM 1 1 1
Validated hit series No No No
Series ID
MMV09 MMV10 MMV11
Compound A0009 A0010 A0011
EC50 P. falciparum (μM) 0.2 0.6 0.6
EC50 MRC5 cells (μM) > 15 > 15 6
cLogP 2.6 2.4 4.3
cLogD 2.6 2.4 3.9
TPSA (Å2) 55 67 58
MW 348 348 482
Heavy Atoms 24 23 35
No. of examples < 1μM 1 1 1
Validated hit series No No No