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:54
Name:Nalidixic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.7E-5

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
-4.77

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.

-5.1

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

-5.27

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

Links to External Resources