. 2011 Oct 4;1:13. doi: 10.1186/2191-2858-1-13

Table 1.

Structure, experimental, and predicted activity of 4-anilinoquinozaline derivatives


S. no.	R	R₁	R₂	R₃	R₄	A	B	D	EC₅₀(μm)^a	ExperimentalpEC₅₀^b	Predicted pEC₅₀

											MLR	PCR	PLS	SW-FB	GA	SA

1	H	Me	Cl	H	OMe	C	C	C	0.002	2.699	2.695	1.215	2.496	2.197	2.196	1.838
2	H	Me	OMe	H	OMe	C	C	C	0.004	2.398	2.386	1.684	2.083	2.197	2.347	2.071
3	H	Me	NMe₂	H	OMe	C	C	C	0.015	1.823	1.716	2.152	2.01	1.107	0.865	1.422
4	H	Me	NHMe	H	OMe	C	C	C	0.008	2.097	2.386	1.684	2.083	2.215	1.37	2.229
5	H	Me	NHNH₂	H	OMe	C	C	C	0.023	1.639	1.441	1.215	1.216	1.052	1.755	2.431
6	H	Me	NMeAc	H	OMe	C	C	C	0.009	2.046	2.143	2.62	2.576	2.244	2.017	2.255
7	H	Me	Me	H	OMe	C	C	C	0.002	2.699	1.924	1.684	1.814	2.37	1.875	1.174
8	H	Me	Et	H	OMe	C	C	C	0.009	2.046	3.331	2.152	1.969	1.717	2.482	1.728
9	H	Me	CH₂F	H	OMe	C	C	C	0.002	2.699	3.484	1.684	3.567	1.991	0.95	1.964
10	H	Me	CH₂Cl	H	OMe	C	C	C	0.048	1.319	1.315	1.684	1.679	2.104	1.507	1.23
11	H	Me	CH₂OH	H	OMe	C	C	C	0.002	2.699	2.386	1.684	2.307	2.398	1.85	2.699
12	H	Me	CH₂NMe₂	H	OMe	C	C	C	1.8	-0.255	0.158	1.684	-0.061	0.366	-0.338	-0.208
13	H	H	Me	H	OMe	C	C	C	6.4	-0.806	0.242	0.512	0.048	-0.066	0.251	-0.113
14	H	Me	Me	H	NO₂	C	C	C	0.74	0.131	-0.074	1.215	0.377	-0.546	-0.23	0.628
15	H	Me	Me	H	F	C	C	C	0.42	0.377	0.518	1.215	0.679	0.986	1.541	1.711
16	F	Me	Me	H	OEt	C	C	C	0.004	2.398	2.869	2.152	1.872	2.071	2.351	2.071
17	H	Me	Me	H	OCHF₂	C	C	C	0.009	2.046	1.892	1.684	1.833	1.559	0.129	1.238
18	H	Me	Me	H	SMe	C	C	C	0.004	2.398	1.924	1.684	1.814	1.583	1.851	2.226
19	H	Me	Me	H	Et	C	C	C	0.031	1.509	2.397	1.918	0.976	1.878	1.355	1.222
20	H	Me	Me	H	NMe₂	C	C	C	0.016	1.796	1.815	2.152	1.742	1.731	1.615	0.927
21	H	Me	Me	H	OH	C	C	C	0.086	1.066	0.518	1.215	0.679	0.561	1.64	1.299
22	H	Me	Me	H	NH₂	C	C	C	0.18	0.745	1.079	1.215	0.679	0.78	2.02	1.40
23	H	Me	Me	H	N₃	C	C	C	0.011	1.959	2.102	1.215	2.055	1.433	1.913	2.58
24	H	Me	Me	H	NHAc	C	C	C	0.059	1.229	1.382	1.918	1.331	0.56	1.419	1.31
25	H	Me	Me	H	OMe	C	C	C	0.002	2.699	1.391	1.684	1.514	1.766	1.543	1.732
26	H	Me	Me	H	OMe	C	C	C	0.004	2.398	1.903	1.684	1.821	1.667	1.289	2.02
27	H	Me	Me	H	OMe	C	C	C	0.010	2	2.164	2.152	2.271	2.248	2.551	2.252
28	H	Me	Me	H	OMe	N	C	C	0.011	1.824	1.541	1.215	1.316	1.217	0.865	1.413
29	H	Me	Me	H	OMe	C	N	C	0.016	1.357	0.979	1.215	1.316	1.591	1.355	2.174
30	H	Me	Me	H	NMe₂	N	C	C	0.015	1.482	1.432	1.684	1.244	0.989	1.293	1.18
31	H	Me	Me	H	OMe	N	C	N	0.053	1.125	0.596	0.747	0.819	1.663	2.329	1.277
32	H	Me	Me	OMe	OMe	C	N	N	0.15	0.824	0.035	0.747	0.819	1.901	1.54	1.433

^aData are the mean of three or more experiments and are reported as mean ± SE of the mean (SEM).

^bThe negative logarithm of the measured EC₅₀(μM).