Oja, M.; Maran, U. pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling. Eur. J. Pharm. Sci. 2018, 123, 429-440.
Compound
| ID: | M019 | |
|---|---|---|
| Name: | Budesonide | |
| Description: | ||
| Labels: | ||
| CAS: | 51333-22-3 | |
| InChi Code: | InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1 |
Properties
logPe_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.93 |
experimental value |
| -6.01 |
Eq.4: QSAR model for membrane permeability at pH 3 (Training set) |
logPe_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.86 |
experimental value |
| -5.86 |
Eq.5: QSAR model for membrane permeability at pH 5 (Training set) |
logPe_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.91 |
experimental value |
| -5.91 |
Eq.6: QSAR model for membrane permeability at pH 7.4 (Training set) |
logPe_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.91 |
experimental value |
| -5.94 |
Eq.7: QSAR model for membrane permeability at pH 9 (Training set) |
logPe_highest: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.86 |
experimental value |
| -5.76 |
Eq.8: QSAR model for highest membrane permeability (Training set) |
logPo: Logarithmic intrinsic membrane permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.8 |
experimental value |
| -5.25 |
Eq.9: QSAR model for intrinsic membrane permeability (Training set) |
logPe_pH3_class: Class of logarithmic effective membrane permeability at pH 3 i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.4_class: Classification model for membrane permeability at pH 3 (Training set) |
logPe_pH5_class: Class of logarithmic effective membrane permeability at pH 5 i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.5_class: Classification model for membrane permeability at pH 5 (Training set) |
logPe_pH7.4_class: Class of logarithmic effective membrane permeability at pH 7.4 i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.6_class: Classification model for membrane permeability at pH 7.4 (Training set) |
logPe_pH9_class: Class of logarithmic effective membrane permeability at pH 9 i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.7_class: Classification model for membrane permeability at pH 9 (Training set) |
logPe_highest_class: Class of highest logarithmic effective membrane permeability for pH range 3 to 9 i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.8_class: Classification model for highest membrane permeability (Training set) |
logPo_class: Class of logarithmic intrinsic membrane permeability i
| Value | Source or prediction |
|---|---|
| H |
experimental value |
| H |
Eq.9_class: Classification model for intrinsic membrane permeability (Training set) |