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. 2022 Sep 14;33(6):2221–2241. doi: 10.1007/s11224-022-02056-1

Table 5.

Toxicity prediction of potential lead compounds using Protox-II

Compound name LD50 mg/Kg Toxicity class Predicted active targets Probability
Quercitrin 5000 5

Carcinogenicity

Immunotoxicity

Aryl hydrocarbon receptor

0.50

0.97

0.55

Teucrol 5000 5

Immunotoxicity

Estrogen receptor ligand-binding domain

Phosphoprotein (tumor supressor) p53

ATPase family AAA domain-containing protein 5

0.68

0.84

0.85

0.77

Malvinidin-3-arabinoside 5000 5

Immunotoxicity

Cytotoxicity

0.99

0.50

N-E-caffeoyl tyramine 500 4 Immunotoxicity 0.64
ZINC000085967772 5000 5

Carcinogenicity

Immunotoxicity

0.51

0.97

Pinobanksin 3-(E)-caffeate 2000 4

Carcinogenicity

Immunotoxicity

0.55

0.97

Abyssinone IV 2000 4

Immunotoxicity

Mitochondrial membrane potential

0.88

0.69