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:31
Name:Pindolol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.0E-5

Wang, W.; Sasaki, H.; Chien, D.-S.; Lee, V. H. L. Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Current Eye Research 1991, 10, 571–579. http://dx.doi.org/10.3109/02713689109001766

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

ValueSource or prediction
-5

Wang, W.; Sasaki, H.; Chien, D.-S.; Lee, V. H. L. Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Current Eye Research 1991, 10, 571–579. http://dx.doi.org/10.3109/02713689109001766

-5.11

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

-4.99

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

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