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:16
Name:4,6-dichloro-2-benzo-thiazolesulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H4Cl2N2O2S2/c8-3-1-4(9)6-5(2-3)14-7(11-6)15(10,12)13/h1-2H,(H2,10,12,13)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
3.9E-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
-4.41

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

-4.29

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

-4.41

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