Table 6 ADMET predicted profile for active compounds- metabolism.

From: Computational drug discovery of phytochemical alkaloids targeting the NACHT/PYD domain in the NLRP3 inflammasome

Parameter

Corynoline

Magnoflorine

Neferine

Oxyacanthine

Columbamine

Berberine

Berbamine

Palmatine

Tranilast

Oridonin

GI absorption

High

High

High

High

High

High

High

High

High

High

BBB permeant

Yes

Yes

No

No

Yes

Yes

No

Yes

No

No

P-gp substrate

No

Yes

No

No

Yes

Yes

No

Yes

No

Yes

CYP1A2 inhibitor

Yes

Yes

No

No

Yes

Yes

No

No

No

No

CYP2C19 inhibitor

Yes

No

No

No

No

No

No

No

No

No

CYP2C9 inhibitor

No

No

No

No

No

No

No

No

Yes

No

CYP2D6 inhibitor

Yes

No

No

No

Yes

Yes

No

Yes

No

No

CYP3A4 inhibitor

Yes

Yes

No

No

Yes

Yes

No

Yes

No

No

Log Kp (skin permeation)

-6.62 cm/s

-6.44 cm/s

-5.35 cm/s

-5.51 cm/s

-5.94 cm/s

-5.87 cm/s

-5.51 cm/s

-5.79 cm/s

-6.02 cm/s

-8.47 cm/s