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: | 47 | |
|---|---|---|
| Name: | (3Z)-3-[(4-fluorophenyl)imino]-[1,2,4]thiadiazolo[3,4-b][1,3,4]thiadiazole-6-sulfonamide | |
| Description: | Name was changed. Original name: 4-fluoro der. of 40 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H6FN5O2S3/c10-5-1-3-6(4-2-5)12-7-15-8(14-19-7)18-9(13-15)20(11,16)17/h1-4H,(H2,11,16,17)/b12-7- |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 4.1E-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. http://dx.doi.org/10.1002/jps.2600740210 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.39 |
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. http://dx.doi.org/10.1002/jps.2600740210 |
| -5.27 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.3 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |