TABLE 2

Known influence of PCPs on compound interactions with cells, membranes, and transporters

An upward arrow indicates positive correlation, and a downward arrow indicates negative correlation.

PCPMembrane PermeabilityCaco-2 PermeabilityP-gp SubstrateaP-gp Nonsubstratea
MWb>400c<400c
ONC≥8c≤4c
logD7.4d
logPb
Acidic pKa<4c
Basic pKa<8c
IPb
PSAbd
  • MW, molecular weight; ONC, O + N atom count; logP, log of the partition coefficient; logD7.4, log of the distribution coefficient at pH = 7.4; IP, ionization potential; PSA, polar van der Waals' surface area.

  • a Rule of fours (Didziapetris et al., 2003).

  • b McGinnity et al., 2004.

  • c Didziapetris et al., 2003.

  • d Artursson et al., 2001.