10967/191 - QDB Compounds

QsarDB Repository

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:21
Name:6-acetamido-2-benzo-thiazolesulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H9N3O3S2/c1-5(13)11-6-2-3-7-8(4-6)16-9(12-7)17(10,14)15/h2-4H,1H3,(H,11,13)(H2,10,14,15)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
4.7E-6

Schoenwald, R. D.; Houseman, J. A. Disposition of cyclophosphamide in the rabbit and human cornea. Biopharmaceutics & Drug Disposition 1982, 3, 231–241. http://dx.doi.org/10.1002/bdd.2510030306

logPapp: The logarithm of the corneal permeability [log(cm/s)]

ValueSource or prediction
-5.33

Schoenwald, R. D.; Houseman, J. A. Disposition of cyclophosphamide in the rabbit and human cornea. Biopharmaceutics & Drug Disposition 1982, 3, 231–241. http://dx.doi.org/10.1002/bdd.2510030306

-5.31

Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set)

-5.34

Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set)