N-Substituted Phenylhydrazones Kill the Ring Stage of Plasmodium falciparum

Table 4

Pharmacokinetic parameters of the compounds from SwissADME database.

Molecule	clogP	pIC50; 3D7	pIC50; Dd2	LLE; 3D7	LLE; Dd2	GI absorption	BBB permeant	Pgp substrate	In silico % ABS
PHN1	3.27	3.10	4.05	0.17	0.78	High	No	No	69.00
PHN2	0.57	3.57	4.39	3.00	3.82	Low	No	No	55.01
PHN3	1.29	4.74	5.18	3.45	3.89	Low	No	No	58.80
PHN4	1.39	4.24	4.20	2.85	0.04	High	No	No	69.00
PHN5	0.99	4.25	4.71	3.26	3.72	High	No	No	62.00
PHN6	0.99	5.37	4.77	4.38	3.78	High	No	No	62.00

Key: cLogP: calculated lipophilicity; pIC₅₀: logarithm of 50% inhibitory concentration; LLE: ligand lipophilicity index; BBB: blood-brain barrier. The descriptors include MW: molecular weight; A: molar refractivity; HBD: hydrogen bond donor; HBA: hydrogen bond acceptor; RB: rotatable bonds; TPSA: topological polar surface area; L-Ro5: Lipinski’s rule of five; L-Ro5: , , , .