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:30
Name:Phenylephrine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
9.4E-7

Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. https://doi.org/10.1007/bf01065260

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

ValueSource or prediction
-6.03

Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. https://doi.org/10.1007/bf01065260

-5.49

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

-5.36

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

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