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. 2015 Sep 18;10(11):1809–1820. doi: 10.1002/cmdc.201500300

Table 5.

Variation of the R3, R4, and R5 groups of compound 19

Inline graphic
ID R3 R4 R5 PPB clogP EC50 [μm][a] Aq. Sol.
[% free] T. b. brucei MRC5 [μm][b]
19 H H H 0.8 3.9 0.04 >50 110
20 OMe H H 0.7 3.8 0.33 24 ND
21 CH2OH H H 4.7 2.9 0.4 >50 ND
22 C(O)NHMe H H ND 2.9 1.7 >50 ND
23 CH2NMe2 H H ND 3.8 5 >50 ND
24 H CH2OH H ND 2.9 0.03 >50 >250
25 H NHCOMe H ND 3.2 0.9 >50 ND
26 H H F 0.7 3.9 0.06 >50 20
27 H H OMe ND 3.9 0.9 >50 ND
28 H H CH2OH 7.2 2.9 0.05 >50 >250

[a] Values are the geometric mean of two or more determinations; standard deviation is typically within 2-fold of the EC50 value. [b] Aqueous kinetic solubility. ND: not determined.