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:50
Name:Trichlormethazolamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H5Cl3N4O3S2/c1-12-3(10-2(13)5(6,7)8)16-4(11-12)17(9,14)15/h1H3,(H2,9,14,15)/b10-3+

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.1E-5

experimental value

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

ValueSource or prediction
-4.96

experimental value

-5.05

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

-5.17

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