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:34
Name:6H,7H,8H,9H-[1,2,3]thiadiazolo[5,4-h]isoquinoline
Description:Name was changed. Original name: SKF86607
Labels:
CAS:
InChi Code:InChI=1S/C9H9N3S/c1-2-8-9(11-12-13-8)7-5-10-4-3-6(1)7/h1-2,10H,3-5H2

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
7.9E-5

Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. https://doi.org/10.1007/bf01065260

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

ValueSource or prediction
-4.1

Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. https://doi.org/10.1007/bf01065260

-4.38

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

-4.37

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