10967/191 - QDB Compounds

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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:68
Name:Betaxolol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
6.0E-5

Rusinko, A.; Hellberg, M. R.; May, J. A.; Owen, G. R. Use of mdck cell line to predict corneal penetration of drugs. 2008.

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

ValueSource or prediction
-4.22

Rusinko, A.; Hellberg, M. R.; May, J. A.; Owen, G. R. Use of mdck cell line to predict corneal penetration of drugs. 2008.

-4.72

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

-4.61

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

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