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:39
Name:4-chlorobenzene-1-sulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
5.5E-5

Maren, T. H.; Jankowska, L.; Sanyal, G.; Edelhauser, H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Experimental Eye Research 1983, 36, 457–479. http://dx.doi.org/10.1016/0014-4835(83)90041-6

logPapp: The logarithm of the corneal permeability [log(cm/s)]

ValueSource or prediction
-4.26

Maren, T. H.; Jankowska, L.; Sanyal, G.; Edelhauser, H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Experimental Eye Research 1983, 36, 457–479. http://dx.doi.org/10.1016/0014-4835(83)90041-6

-4.57

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

-4.62

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

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