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. 2022 Mar 10;12(13):7872–7882. doi: 10.1039/d1ra09339h

ADMET properties of the top 10 hits.

Compound Absorption Distribution Metabolism Excretion Toxicity
GI absorption (%) Water solubility BBB/CNS permeation CYP2D6 inhibitor OCT2 substrate AMES
Acetyldehydroanonaine 98.82 −5.01 No No No Yes
Hydroxysanguinarine 100.00 −33.25 No No No Yes
Stylopine 94.37 −2.70 No Yes No No
Corysamine 85.01 −2.89 No No No Yes
Irenolone 91.52 −4.61 No No No Yes
Dehydroroemerine 98.22 −5.68 No No No Yes
l-N-Acetylanonaine 96.87 −3.80 No No No Yes
Dehydroevodiamines 99.69 −3.79 No No Yes No
Elliptinone 93.49 −3.99 No No No Yes
Chitranone 91.26 −4.38 No No No Yes
Silmitasertib 99.25 −3.30 No Yes No No
Wortmannin 100.00 −4.08 No No No No