Synthesis and biological assessment of novel 4H-chromene-3-carbonitrile derivatives as tyrosinase inhibitors

BMC Chemistry

Table 3 ADMETa prediction of the selected compounds 6e and 6f

Compound	Absorption		Distribution	Metabolism						Excretion	Toxicity
Compound	BBB permeability (Log BB)	Intestinal absorption (%Absorbed)	VDss (log L/Kg)	CYP3A4 substrate	CYP3A4 Inhibitor	CYP2C9 inhibitor	CYP2C19 inhibitor	CYP2D6 Substrate	CYP2D6 inhibitor	Renal OCT2 substrate	cytotoxicity	Skin Sensitization	hERG1 inhibitor
6e	-0.227	93.388	0.286	Yes	Yes	Yes	Yes	No	No	No	No	No	No
6f	-0.133	100	0.140	Yes	Yes	Yes	Yes	No	No	No	No	No	No

^aHIA (Human Intestinal Absorption): > 80% is high and < 30% is poor; VDss (steady-state volume of distribution): log L/Kg: > 0.45 is high and < − 0.15 is low. A compound is considered to have low skin permeability if it has a logKp > − 2.5. PkCSM and SwissADME online servers calculated all data. ^bThe software could not predict parameters for these compounds (−)

ISSN: 2661-801X