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: | 23 | |
|---|---|---|
| Name: | Labetalol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 1.4E-5 |
Wang, W.; Sasaki, H.; Chien, D.-S.; Lee, V. H. L. Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Current Eye Research 1991, 10, 571–579. https://doi.org/10.3109/02713689109001766 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.85 |
Wang, W.; Sasaki, H.; Chien, D.-S.; Lee, V. H. L. Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Current Eye Research 1991, 10, 571–579. https://doi.org/10.3109/02713689109001766 |
| -5.53 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.4 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2023191 | US EPA CompTox Dashboard |