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: | 40 | |
|---|---|---|
| Name: | (3Z)-3-(phenylimino)-[1,2,4]thiadiazolo[3,4-b][1,3,4]thiadiazole-6-sulfonamide | |
| Description: | Name was changed. Original name: 6-sulfonamido-3-substituted-3H-1.3.4.-thiadiozolo[2.3-C]-1.2.4-thiadiazole | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H7N5O2S3/c10-19(15,16)9-12-14-7(18-13-8(14)17-9)11-6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)/b11-7- |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 7.9E-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 |
|---|---|
| -5.1 |
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 |
| -5.35 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.37 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |