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:65
Name:Fluorescein
Description:
Labels:
CAS:
InChi Code:InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.6E-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
-4.8

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

-4.34

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

-4.41

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

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