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:58
Name:Ciprofloxacin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.3E-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
-5.89

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.

-5.58

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

-5.61

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

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