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: | 45 | |
|---|---|---|
| Name: | (3Z)-3-[(4-hydroxyphenyl)imino]-[1,2,4]thiadiazolo[3,4-b][1,3,4]thiadiazole-6-sulfonamide | |
| Description: | Name was changed. Original name: 4-hydroxy der. of 40 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H7N5O3S3/c10-20(16,17)9-12-14-7(19-13-8(14)18-9)11-5-1-3-6(15)4-2-5/h1-4,15H,(H2,10,16,17)/b11-7- |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 3.5E-7 |
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 |
|---|---|
| -6.46 |
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 |
| -5.88 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.88 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |