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: | 4 | |
|---|---|---|
| Name: | Benzolamide | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14) |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 1.4E-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 |
|---|---|
| -6.85 |
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 |
| -6.37 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -6.42 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID10187356 | US EPA CompTox Dashboard |