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:15
Name:6-chloro-2-benzo-thiazolesulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H5ClN2O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,(H2,9,11,12)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
4.3E-5

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
-4.37

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

-4.42

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

-4.52

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