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: | 3 | |
|---|---|---|
| Name: | Atenolol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 6.7E-7 |
Lach, J. L.; Huang, H.-S.; Schoenwald, R. D. Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. Journal of Pharmaceutical Sciences 1983, 72, 1272–1279. https://doi.org/10.1002/jps.2600721109 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.17 |
Lach, J. L.; Huang, H.-S.; Schoenwald, R. D. Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. Journal of Pharmaceutical Sciences 1983, 72, 1272–1279. https://doi.org/10.1002/jps.2600721109 |
| -5.99 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.81 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022628 | US EPA CompTox Dashboard |