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: | 186 | |
|---|---|---|
| Name: | Indomethacin | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.26 |
experimental value |
| -0.818 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.8253 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020740 | US EPA CompTox Dashboard |