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:11
Name:Cyclophosphamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
1.1E-5

Chiang, C.; Schoenwald, R.; Huang, H. Corneal permeability of adrenergic agents potentially useful in glaucoma. J Taiwan Pharmaceut Assoc 1986, 38, 67–84.

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

ValueSource or prediction
-4.96

Chiang, C.; Schoenwald, R.; Huang, H. Corneal permeability of adrenergic agents potentially useful in glaucoma. J Taiwan Pharmaceut Assoc 1986, 38, 67–84.

-4.74

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

-4.79

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

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