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Table 5 In silico toxicity profiles of some designed inhibitors

From: Unveiling novel inhibitors of dopamine transporter via in silico drug design, molecular docking, and bioavailability predictions as potential antischizophrenic agents

 

Some newly designed inhibitors

Referenced drug

Toxicity properties

39b

39c

39f

39g

39m

Lumateperone

AMES toxicity

Yes

Yes

Yes

Yes

No

Yes

hERG I inhibitor

No

No

No

No

No

No

Carcinogenicity

No

No

No

No

No

No

Hepatotoxicity

No

Yes

Yes

Yes

No

Yes

Skin sensitization

No

No

No

No

No

No