Kidron, H.; Vellonen, K.-S.; del Amo, E. M.; Tissari, A.; Urtti, A. Prediction of the Corneal Permeability of Drug-Like Compounds. Pharm. Res. 2010, 27, 1398–1407.
Compound
| ID: | 48 | |
|---|---|---|
| Name: | (3Z)-3-{[4-(dimethylamino)phenyl]imino}-[1,2,4]thiadiazolo[3,4-b][1,3,4]thiadiazole-6-sulfonamide | |
| Description: | Name was changed. Original name: 4-dimethylamino der. of 40 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C11H12N6O2S3/c1-16(2)8-5-3-7(4-6-8)13-9-17-10(15-21-9)20-11(14-17)22(12,18)19/h3-6H,1-2H3,(H2,12,18,19)/b13-9- |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 5.8E-6 |
Eller, M. G.; Schoenwald, R. D.; Dixson, J. A.; Segarra, T.; Barfknecht, C. F. Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. Journal of Pharmaceutical Sciences 1985, 74, 155–160. https://doi.org/10.1002/jps.2600740210 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.24 |
Eller, M. G.; Schoenwald, R. D.; Dixson, J. A.; Segarra, T.; Barfknecht, C. F. Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. Journal of Pharmaceutical Sciences 1985, 74, 155–160. https://doi.org/10.1002/jps.2600740210 |
| -5.57 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.59 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |