Table 3.

ADME-TOX predictions of curcumin analogues by variable nearest neighbor (vNN) method.

Compound	Cyto-toxicity	HLM	Cyp1A2 inhibitor	Cyp3A4 inhibitor	Cyp2D6 inhibitor	Cyp2C9 inhibitor	Cyp2C19 inhibitor	BBB	P-gp inhibitor & substrate	MMP	AMES	MRTD (mg/day)
CUCM-7	No	Yes	No	No	No	Yes	Yes	No	No	No	No	226
CUCM-14	No	Yes	No	No	No	Yes	Yes	No	No	Yes	No	242
CUCM-26	No	Yes	No	No	No	Yes	Yes	No	No	No	No	218
CUCM-36	No	No	No	No	No	No	No	No	No	No	No	421
CUCM-42	No	Yes	No	No	No	Yes	Yes	No	No	Yes	No	249
CUCM-45	No	No	Yes	No	No	No	No	No	No	No	Yes	406
Curcumin	No	Yes	No	No	No	Yes	Yes	No	No	Yes	No	428

*HLM = Human Liver Microsomal Stability, Cyp1A2 = Cytochrome p450 1A2, Cyp3A4 = Cytochrome p450 3A4, Cyp2D6 = Cytochrome p450 2D6, Cyp2C9 = Cytochrome p450 2C9, Cyp2C19 = Cytochrome p450 2C19, BBB = blood brain barrier, P-gp = glycoprotein, MMP = metallo matrix protein, MRTD = maximum recommended therapeutic dose.