Skip to main content

Table 4 Pharmacokinetics properties of the designed derivatives of 2-anilino 4-amino substituted quinazolines

From: Virtual screening and molecular dynamic simulations of the antimalarial derivatives of 2-anilino 4-amino substituted quinazolines docked against a Pf-DHODH protein target

S/N

MR

log Kp (cm/s)

GI absorption

BBB permeant

Pgp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

C-1

120.82

− 4.82

Low

No

Yes

Yes

Yes

Yes

C-2

120.53

− 5.38

High

No

No

Yes

Yes

Yes

C-3

115.77

− 5.06

High

No

No

Yes

Yes

Yes

C-4

123.52

− 5.02

High

No

No

Yes

Yes

Yes

C-5

128.53

− 5.33

High

No

No

Yes

Yes

Yes

C-6

130.03

− 5.97

Low

No

No

Yes

Yes

Yes

C-7

123.47

− 5.06

High

No

No

Yes

Yes

Yes

C-8

120.78

− 4.83

High

No

No

Yes

Yes

Yes

C-9

132.34

− 5.41

Low

No

No

Yes

Yes

Yes

C-10

124.60

− 5.46

Low

No

No

Yes

Yes

Yes

  1. MR molar refractivity, log Kp log of skin permeability, GI gastrointestinal absorption, BBB blood–brain barrier, Pgp penetration permeability glycoprotein substrate, CYP450 cytochrome P450 enzymes; CYP1A2, CYP2C9, and CYP2C19 inhibitors