Table 9.

Prediction of ADMET pharmacokinetic properties of nortriptyline and more active ligands.

Ligands Number	Absorption	Distribution			Metabolism							Excretion	Toxicity
	Intestinal Absorption (Human)	VDss (Human)	BBB Permeability	CNS Permeability	Substrate		Inhibitor					Total Clearance	AMES Toxicity
					CYP
					2D6	3A4	1A2	2C19	2C9	2D6	3A4
	Numeric (% Absorbed)	Numeric (Log L/kg)	Numeric (Log BB)	Numeric (Log PS)	Categorical (Yes/No)							Numeric (Log ml/min/kg)	Categorical (Yes/No)
(1) L6	91.194	1.431	0.199	−1.06	Yes	Yes	Yes	Yes	No	Yes	Yes	1.058	Not toxic
(2) L9	93.373	1.477	0.223	−1.072	Yes	Yes	Yes	No	No	Yes	No	0.978	Not toxic
(3) L30	93.344	1.242	0.176	−2.055	Yes	Yes	No	No	No	Yes	No	0.883	Not toxic
(4) L31	95.105	1.187	0.048	−1.976	Yes	Yes	No	No	No	Yes	Yes	0.948	Not toxic
(5) L32	94.331	1.038	−0.378	−2.005	No	Yes	Yes	No	No	No	Yes	0.85	Not toxic
(6) L37	92.765	1.814	0.044	−0.657	Yes	Yes	No	No	No	Yes	No	0.905	Not toxic
(7) nortriptyline	98.519	1.688	0.854	−1.287	No	Yes	Yes	No	No	Yes	No	1.077	Not toxic