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:56
Name:Norfloxacin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.4E-6

Jankowska, L. M.; Bar-Ilan, A.; Maren, T. The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investigative ophthalmology & visual science 1986, 27, 29-37.

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

ValueSource or prediction
-5.85

Jankowska, L. M.; Bar-Ilan, A.; Maren, T. The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investigative ophthalmology & visual science 1986, 27, 29-37.

-5.54

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

-5.56

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

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