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: | 170 | |
|---|---|---|
| Name: | FFMZ | |
| Description: | Systematic name: 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, 1-fluoroethyl ester | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H13F2N3O3/c1-8(16)23-15(22)13-12-6-19(2)14(21)10-5-9(17)3-4-11(10)20(12)7-18-13/h3-5,7-8H,6H2,1-2H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.09 |
experimental value |
| -0.118 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.1162 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |