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: | 300 | |
|---|---|---|
| Name: | Y-G 15 | |
| Description: | Systematic name: N,N-Dimethyl-2-pyridineethylamine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H14N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,7H,6,8H2,1-2H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.06 |
experimental value |
| 0.228 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.2438 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |