Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 246 | |
|---|---|---|
| Name: | R-Etodolac | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.51 |
experimental value |
| -1.616 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -1.6118 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |