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: | 36 | |
|---|---|---|
| Name: | 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline | |
| Description: | Name was changed. Original name: SKF72223 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C11H15NO2/c1-13-10-3-4-11(14-2)9-7-12-6-5-8(9)10/h3-4,12H,5-7H2,1-2H3 |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 4.9E-5 |
Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. http://dx.doi.org/10.1007/bf01065260 |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.31 |
Chiang, C.-H.; Schoenwald, R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. Journal of Pharmacokinetics and Biopharmaceutics 1986, 14, 175–211. http://dx.doi.org/10.1007/bf01065260 |
| -4.7 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -4.61 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60226941 | US EPA CompTox Dashboard |