. 2026 Feb 23;16(12):10582–10596. doi: 10.1039/d5ra08239k

Table 6. Pharmacokinetic predictions of docked ligands evaluated by SwissADME^a.

Ligand	Log K_p (cm s⁻¹)	GI absorption	BBB permeant	Inhibitor interactions
Ligand	Log K_p (cm s⁻¹)	GI absorption	BBB permeant	P-gp	CYP1A2	CYP2C19	CYP2C9	CYP2D6	CYP3A4
3	−4.84	High	Yes	No	Yes	Yes	No	No	No
5	−5.25	High	Yes	No	Yes	Yes	No	No	No
6	−5.35	High	Yes	No	Yes	Yes	No	Yes	No
8	−4.94	High	Yes	No	Yes	Yes	No	Yes	No
11	−4.74	High	Yes	Yes	Yes	Yes	No	Yes	Yes
13	−5.09	High	Yes	Yes	Yes	Yes	No	Yes	Yes

Abbreviations: GI, gastro-intestinal; BBB, blood–brain barrier; P-gp, P-glycoprotein; CYP, cytochrome-P.

Table 6. Pharmacokinetic predictions of docked ligands evaluated by SwissADMEa.