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: | 51 | |
|---|---|---|
| Name: | Trifluormethazolamide | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C5H5F3N4O3S2/c1-12-3(10-2(13)5(6,7)8)16-4(11-12)17(9,14)15/h1H3,(H2,9,14,15)/b10-3+ |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 3.9E-6 |
Duffel, M. W.; Ing, I. S.; Segarra, T. M.; Dixson, J. A.; Barfknecht, C. F.; Schoenwald, R. D. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. Journal of Medicinal Chemistry 1986, 29, 1488–1494. http://dx.doi.org/10.1021/jm00158a028 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.41 |
Duffel, M. W.; Ing, I. S.; Segarra, T. M.; Dixson, J. A.; Barfknecht, C. F.; Schoenwald, R. D. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. Journal of Medicinal Chemistry 1986, 29, 1488–1494. http://dx.doi.org/10.1021/jm00158a028 |
| -5.17 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.28 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |