Computer-aided design of some quinazoline analogues as epidermal growth factor receptor inhibitors

Egyptian Journal of Medical Human Genetics

Table 4 ADMET properties of newly designed EGFR inhibitors

S/N	Absorption	Distribution		Metabolism							Excretion	Toxicity
	Intestinal absorption	BBB permeability	CNS permeability	CYP		CYP					Total clearance	AMES toxicity
	Intestinal absorption	BBB permeability	CNS permeability	Substrate		Inhibitors					Total clearance	AMES toxicity
		Log BB	Log PS	2D6	3A4	1A2	2C19	2C9	2D6	3A4
1	100	−2.07	−3.198	No	Yes	No	No	Yes	No	Yes	0.157	No
2	92.949	−1.929	−3.28	No	Yes	No	No	Yes	No	Yes	0.31	No
3	93.109	−2.188	−3.27	No	Yes	No	No	Yes	No	Yes	0.302	No
4	89.054	−2.391	−3.317	No	Yes	No	No	Yes	No	Yes	0.275	No
5	97.349	−2.314	−3.09	No	Yes	No	No	Yes	No	Yes	0.313	No
6	94.285	−2.352	−3.209	No	Yes	No	No	Yes	No	Yes	0.324	No
Gefitinib	92.84	−2.737	−1.337	No	Yes	No	No	No	No	Yes	0.778	No