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: | 176 | |
|---|---|---|
| Name: | Glycyrrhetinic acid | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.40 |
experimental value |
| -0.845 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.8201 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |