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:19
Name:6-hydroxyethoxy-2-benzothiazolesulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10N2O4S2/c10-17(13,14)9-11-7-2-1-6(15-4-3-12)5-8(7)16-9/h1-2,5,12H,3-4H2,(H2,10,13,14)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.5E-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
-5.82

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

-5.39

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

-5.42

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