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: | 324 | |
|---|---|---|
| Name: | SB222200 | |
| Description: | Systematic name: 3-Methyl-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.30 |
experimental value |
| 0.453 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.3977 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |