Known influence of PCPs on compound interactions with P450 isozymes
An upward arrow indicates positive correlation, and a downward arrow indicates negative correlation.
| PCP | CYP3A4 Binding | CYP2D6 Binding | CYP2C9 Binding | CYP1A2 Binding | CYP2C19 Binding | CYP2E1 Binding | Enzyme Binding | Rate of Metabolism |
|---|---|---|---|---|---|---|---|---|
| Size: MW | ↓a | ↑b | ↑b | ↓a,b,c | ||||
| Flexibility: RBC | ↑a | ↑a | ↑a | ↑a | ||||
| Lipophilicity | ||||||||
| logP | ↑a,c | ↑c | ↑a,b,c | ↑c | ↑b | ↑c | ||
| logD | ↑a | |||||||
| Acidity | ||||||||
| HBD | ↑a,b,c | ↑b | ↓a,b | ↑b | ||||
| HBA | ↑a | ↑b | ↑a | ↑a | ||||
| Ionization | ||||||||
| pKa | ↑c | ↑b | ↑c | |||||
| MFI | ↑a | |||||||
| IP (HOMO) | ↑b | ↓b | ↑a | |||||
| Polarity | ||||||||
| PSA | ↑a | |||||||
| DM | ↓b |
MW, molecular weight; RBC, rotatable bond count; logP, log of the partition coefficient; logD, log of the distribution coefficient; HBD, hydrogen bond donor count; HBA, hydrogen bond acceptor count; MFI, maximum fraction ionized at pH = 7.4; IP, ionization potential; HOMO, highest occupied molecular orbit; PSA, polar van der Waals' surface area; DM, dipole moment.
a Lewis et al., 1998.
b Lewis et al., 2002.
c Smith et al., 1997.