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: | 8 | |
|---|---|---|
| Name: | Chlorzolamide | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14) |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 1.8E-5 |
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 |
|---|---|
| -4.74 |
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 |
| -4.82 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -4.96 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |