Table 2.

Azaaurone compounds studied and their observed and predicted antimalarial activities.

Compounds	R	IC50(μM)	pIC50(obs)	pIC50(pred)	Residual
15	4′-Br	49.8	4.303	4.444	-0.141
16	4′-Cl	17	4.770	4.538	0.232
17a	2′-Cl	9.9	5.004	5.086	-0.082
18	2′,5′-Cl	8.4	5.076	5.049	0.0267
19	2′-Cl, 6′-F	9	5.046	4.937	0.109
20	4′-Et	1	6	5.841	0.159
21	2′-Et	12.8	5.893	5.635	0.258
22	2′,6′-Me	9.1	5.041	5.549	-0.508
23a	2′,4′-Me	3.6	5.444	5.515	-0.071
24	2′,4′,5′-Me	5.6	5.252	5.174	0.078
25	2′,3′,5′,6′-Me	8.9	5.051	5.147	-0.096
26	4′-i-Pr	4.4	5.356	5.383	-0.027
27a	4′-t-Bu	7.2	5.143	5.214	-0.071
28	4′-Bu	4.1	5.387	5.381	0.006
29a	4′-CCH	13.4	4.873	5.489	-0.616
30	2′,4′-OMe	5	5.301	5.349	-0.048
31a	2′,4′,6′-OMe	1.9	5.721	5.449	0.272
32	3′,4′,5′-OMe	1.9	5.721	5.81	-0.0889
33	4′-SMe	6.7	5.174	5.204	-0.03
34	4′-Morpholino	8.9	5.051	5.108	-0.057
35a	4′-N (Me)2	3.7	5.432	5.115	0.317

^aCompounds in the test set.