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:61
Name:Gatifloxacin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
2.5E-6

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
-5.6

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

-5.71

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

-5.72

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

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