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: | 138 | |
|---|---|---|
| Name: | BSP | |
| Description: | Systematic name: 1-(4-bromophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one (BSP is a different compound according to SciFinder) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C23H25BrFN3O2/c24-18-5-9-20(10-6-18)28-16-26-22(30)23(28)11-14-27(15-12-23)13-1-2-21(29)17-3-7-19(25)8-4-17/h3-10H,1-2,11-16H2,(H,26,30) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.07 |
experimental value |
| 0.013 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0011 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |