Table 5 The estimated toxicity risk factors for long-term or high-dose usage of the anticipated active top hit are detailed.

From: Targeting and ultrabroad insight into molecular basis of Resistance-nodulation-cell division efflux pumps

Identifier		NPC98538	NPC100251	NPC112380	NPC473010
Estrogen receptor (rats)		Toxic	Toxic	Toxic	Toxic
Estro_RBA		2.987	3.004	0.026	0.281
Androgen receptor toxicity		Nontoxic	Nontoxic	Nontoxic	Nontoxic
Andro_RBA		Nontoxic	Nontoxic	Nontoxic	Nontoxic
Allergenic skin sensitization (mice)		Sensitizer	None	None	None
Allergenic respiratory sensitization in the rat		Sensitizer	None	None	None
Fathead minnow lethal toxicity after 96 h of exposure (mg/L)		0.74	6.824	0.368	1.01
Tetrahymena pyriformis growth inhibition toxicity (mmol/L)		2.769	2.816	2.92	2.497
Biodegradation		No	No	No	No
Likelihood of the hERG potassium channel inhibition in human		No	No	No	No
Affinity toward hERG K + channel and potential for cardiac toxicity (mol/L)		5.361	5.553	4.523	5.263
LD50 for lethal rat acute toxicity (mg/kg)		427.979	566.325	356.839	57.326
Tumorigenic dose rat (mg/kg/day)		2113.603	2542.269	2128.89	1257.639
Tumorigenic dose mice (mg/kg/day)		143,596.809	171,930.305	144,474.558	12,973.946
Triggering the mutagenic chromosomal aberrations		Toxic	NonToxic	Toxic	Non toxic
Causing phospholipidosis		Nontoxic	Nontoxic	Nontoxic	Nontoxic
Reproductive/developmental toxicity		Toxic	Nontoxic	Nontoxic	Nontoxic
Hepatotoxicity	Levels of ALP enzyme	Elevated	Normal	Normal	Elevated
	Levels of GGT enzyme	Normal	Normal	Normal	Normal
	Levels of LDH enzyme	Normal	Normal	Normal	Normal
	Levels of AST enzyme	Elevated	Normal	Elevated	Elevated
	Levels of ALT enzyme	Normal	Normal	Normal	Normal
Mutagenicity (pure compound)	TA97 and/or TA1537 strains of S. typhimurium	Negative	Negative	Negative	Negative
	TA98 strain of S. typhimurium	Negative	Negative	Negative	Negative
	TA100 strain of S. typhimurium	Negative	Negative	Negative	Negative
	S. typhimurium and/or WP2 uvrA strain of E. coli	Negative	Negative	Negative	Negative
	TA1535 strain of S. typhimurium	Negative	Negative	Negative	Negative
Mutagenicity (microsomal rat liver metabolites)	TA97 and/or TA1537 strains of S. typhimurium	Negative	Negative	Positive	Negative
	TA98 strain of S. typhimurium	Negative	Negative	Negative	Negative
	TA100 strain of S. typhimurium	Negative	Negative	Negative	Negative
	TA102 strain of S. typhimurium	Positive	Negative	Negative	Negative
	TA1535 strain of S. typhimurium	Negative	Negative	Negative	Negative

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Table 5 The estimated toxicity risk factors for long-term or high-dose usage of the anticipated active top hit are detailed.

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