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: | 63 | |
|---|---|---|
| Name: | Buspirone | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 6.65E-5 |
Rusinko, A.; Hellberg, M. R.; May, J. A.; Owen, G. R. Use of mdck cell line to predict corneal penetration of drugs. 2008. |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.18 |
Rusinko, A.; Hellberg, M. R.; May, J. A.; Owen, G. R. Use of mdck cell line to predict corneal penetration of drugs. 2008. |
| -4.23 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Validation set) |
| -4.28 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022707 | US EPA CompTox Dashboard |