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:22
Name:Levobunolol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
2.0E-5

experimental value

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

ValueSource or prediction
-4.7

experimental value

-4.67

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

-4.57

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

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