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: | 310 | |
|---|---|---|
| Name: | BBCPD57 | |
| Description: | Systematic name: 1-(4-(3-Aminophenyl)-1,3-thiazol-2-yl)guanidine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H11N5S/c11-7-3-1-2-6(4-7)8-5-16-10(14-8)15-9(12)13/h1-5H,11H2,(H4,12,13,14,15) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.15 |
experimental value |
| -0.608 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.6168 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |