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: | 25 | |
|---|---|---|
| Name: | 5-imino-4-methyl-1,3,4-thiadiazoline-2-sulfonamide | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9) |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 7.8E-7 |
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. https://doi.org/10.1021/jm00158a028 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.11 |
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. https://doi.org/10.1021/jm00158a028 |
| -6.26 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -6.29 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |