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: | 183 | |
|---|---|---|
| Name: | Ibuprofen | |
| Description: | Systematic name: alpha-Methyl-4-isobutylphenylacetic acid | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.18 |
experimental value |
| -0.665 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.6589 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020732 | US EPA CompTox Dashboard |