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: | 29 | |
|---|---|---|
| Name: | Penbutolol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1 |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 4.5E-5 |
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 |
|---|---|
| -4.35 |
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 |
| -4.13 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -4.06 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8023428 | US EPA CompTox Dashboard |