Ligand-based drug design of quinazolin-4(3H)-ones as breast cancer inhibitors using QSAR modeling, molecular docking, and pharmacological profiling

Journal of the Egyptian National Cancer Institute

Table 8 Predicted ADMET properties of the designed compounds

S/no	Absorption Intestinal (Human) Absorption	Distribution LogBB LogPS		Metabolism Substrate Inhibitors 2D6 3A4 1A2 2C19 2C9 2D6 3A4							Excretion Total clearance	Toxicity AMES
1	97.183	-0.976	-1.532	NO	YES	YES	NO	NO	NO	YES	0.355	NO
2	100	-1.007	-1.809	NO	YES	YES	YES	YES	NO	YES	0.715	NO
3	98.517	-0.970	-1.353	NO	YES	NO	NO	NO	NO	YES	0.594	NO
4	96.265	-0.992	-1.577	NO	YES	YES	NO	NO	NO	YES	0.714	NO
5	97.718	-0.991	-1.529	NO	YES	YES	NO	NO	NO	YES	0.389	NO
6	100	-1.195	-1.698	NO	YES	NO	YES	YES	NO	YES	0.840	NO
7	100	-1.142	-1.948	NO	YES	NO	YES	YES	NO	YES	0.542	NO