Design of more potent quinazoline derivatives as EGFRWT inhibitors for the treatment of NSCLC: a computational approach

Future Journal of Pharmaceutical Sciences

Table 5 The ADMET properties of the newly designed EGFR^WT inhibitors

S/N	Absorption	Distribution		Metabolism							Excretion	Toxicity
	Intestinal absorption	BBB permeability	CNS permeability	CYP		CYP					Total clearance	AMES toxicity
		BBB permeability	CNS permeability	Substrate		Inhibitors
		Log BB	Log PS	2D6	3A4	1A2	2C19	2C9	2D6	3A4
1	93.348	− 0.707	− 2.723	No	Yes	No	Yes	Yes	No	Yes	0.217	No
2	94.298	− 0.679	− 2.9	No	Yes	No	Yes	Yes	No	Yes	− 0.169	No
3	90.637	− 0.857	− 2.713	No	Yes	No	Yes	Yes	No	Yes	0.333	No
4	90.939	− 0.841	− 2.747	No	Yes	No	Yes	Yes	No	Yes	− 0.054	No
5	93.341	− 0.69	− 2.889	No	Yes	No	Yes	Yes	No	Yes	− 0.063	No
6	94.408	− 0.685	− 2.9	No	Yes	No	Yes	Yes	No	Yes	− 0.163	No
7	92.448	− 0.863	− 2.747	No	Yes	No	Yes	Yes	No	Yes	− 0.047	No
8	93.484	− 0.804	− 2.958	No	Yes	No	Yes	Yes	No	Yes	− 0.32	No
9	92.637	− 0.831	− 2.839	No	Yes	No	Yes	Yes	No	Yes	0.316	No
10	91.585	− 0.78	− 2.996	No	Yes	No	Yes	Yes	No	Yes	− 0.274	No