Table 3 Toxicity profiling of core compounds

hERG blockers

1: active

0: inactive

0.049

0.012

0.029

0.911

0.055

Human hepatotoxicity

1: positive

0: negative

0.16

0.011

0.204

0.6

0.42

Drug-induced liver injury

1: high risk

0: no risk

0.203

0.055

0.057

0.07

0.09

AMES toxicity

1: positive

0: negative

0.026

0.029

0.053

0.754

0.018

Rat oral acute toxicity

1: high

0: low

0.018

0.054

0.748

0.957

0.235

Maximum recommended daily dose

1: FDAMDD (+)

0: FDAMDD (−)

0.73

0.539

0.646

0.959

0.826

Skin sensitization

1: sensitizer 0: non-sensitizer

0.133

0.025

0.241

0.098

0.211

Carcinogen city

1: carcinogen;

0: non-carcinogen

0.047

0.054

0.188

0.972

0.887

Eye corrosion

1: corrosive

0: noncorrosive

0.003

0.003

0.003

0.003

0.003

Eye irritation

1: irritant

0: nonirritant

0.01

0.01

0.009

0.013

0.012

Respiratory toxicity

1: toxicant;

0: nontoxicant

0.536

0.19

0.517

0.976

0.958