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: | E52 | |
|---|---|---|
| Name: | Succinylsulfathiazole | |
| Description: | ||
| Labels: | ||
| CAS: | 116-43-8 | |
| InChi Code: | InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19) |
Properties
logPe_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.52 |
experimental value |
| -6.57 |
Eq.4: QSAR model for membrane permeability at pH 3 (External validation set) |
logPe_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.75 |
experimental value |
| -7.18 |
Eq.5: QSAR model for membrane permeability at pH 5 (External validation set) |
logPe_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -7.89 |
experimental value |
| -8.1 |
Eq.6: QSAR model for membrane permeability at pH 7.4 (External validation set) |
logPe_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -7.28 |
experimental value |
| -8.21 |
Eq.7: QSAR model for membrane permeability at pH 9 (External validation set) |
logPe_highest: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.52 |
experimental value |
| -6.81 |
Eq.8: QSAR model for highest membrane permeability (External validation set) |
logPo: Logarithmic intrinsic membrane permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.4 |
experimental value |
| -7.61 |
Eq.9: QSAR model for intrinsic membrane permeability (External validation set) |
logPe_pH3_class: Class of logarithmic effective membrane permeability at pH 3 i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.4_class: Classification model for membrane permeability at pH 3 (External validation set) |
logPe_pH5_class: Class of logarithmic effective membrane permeability at pH 5 i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.5_class: Classification model for membrane permeability at pH 5 (External validation set) |
logPe_pH7.4_class: Class of logarithmic effective membrane permeability at pH 7.4 i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.6_class: Classification model for membrane permeability at pH 7.4 (External validation set) |
logPe_pH9_class: Class of logarithmic effective membrane permeability at pH 9 i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.7_class: Classification model for membrane permeability at pH 9 (External validation set) |
logPe_highest_class: Class of highest logarithmic effective membrane permeability for pH range 3 to 9 i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.8_class: Classification model for highest membrane permeability (External validation set) |
logPo_class: Class of logarithmic intrinsic membrane permeability i
| Value | Source or prediction |
|---|---|
| L |
experimental value |
| L |
Eq.9_class: Classification model for intrinsic membrane permeability (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXCID5025281 | US EPA CompTox Dashboard |