TABLE 3

Comparison among Kp ratios, in vitro transport profiles, and pKa values


Compound

Kp Ratio

CFR

pKab
Brain
Testis
Bcrp
Mdr1a
Acid
Base
MeIQx 2.36 1.99 4.03 1.76 7.7
PhIP 2.80 3.17 3.20 2.67 2.5
Dantrolene 6.30 16.5 2.52 1.06 7.7
Prazosin 1.52 2.14 2.58 6.52 6.5
Triamterene 2.10 1.71 3.91 2.16 6.3
Daidzeina 5.63 5.75 2.21 0.714 7.5
Genisteina 9.17 5.78 1.69 0.841 7.4
Coumestrola
3.94
4.13
1.90
0.801
8.1

  • a Data were cited from Enokizono et al. (2007b).

  • b The most acidic and basic pKa values were calculated using ACD/pKa software (Advanced Chemistry Development, Toronto, ON, Canada).