Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for neutral and amphoteric drugs and drug-like compounds. SAR QSAR Environ. Res. 2016, 27, 813-832.
Compound
| ID: | N5 | |
|---|---|---|
| Name: | Dexamethasone | |
| Description: | ||
| Labels: | Neutral | |
| CAS: | 50-02-2 | |
| InChi Code: | InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 |
Properties
LogPeff_average: Average logarithmic effective membrane permeability for pH range 3 to 9 of neutral compounds [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -7.34 |
experimental value |
| -7.22 |
Eq.9: QSAR model for average membrane permeability of neutral compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020384 | US EPA CompTox Dashboard |