10967/191 - QDB Compounds

QsarDB Repository

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:57
Name:Ofloxacin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.9E-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
-5.72

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.

-5.53

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

-5.63

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

Links to External Resources