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:53
Name:Cinoxacin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.5E-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
-5.82

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.

-6.41

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

-6.37

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

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