Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.
Compound
| ID: | B5 | |
|---|---|---|
| Name: | Azelastine | |
| Description: | ||
| Labels: | Base | |
| CAS: | 58581-89-8 | |
| InChi Code: | InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1 |
Properties
logPeff_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.5 |
experimental value |
| -4.76 |
Eq.11: QSAR model for membrane permeability of basic compounds at pH 7.4 (Training set) |
logPeff_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.31 |
experimental value |
| -4.26 |
Eq.12: QSAR model for membrane permeability of basic compounds at pH 9 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022638 | US EPA CompTox Dashboard |