Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.
Compound
| ID: | 62 | |
|---|---|---|
| Name: | Etoricoxib | |
| Description: | ||
| Labels: | pH9, Base | |
| CAS: | 202409-33-4 | |
| InChi Code: | InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -4.5 |
experimental value |
| -5.25 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3046457 | US EPA CompTox Dashboard |