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: | 185 | |
|---|---|---|
| Name: | Indinavir | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.74 |
experimental value |
| -1.324 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -1.2407 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |