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: | 327 | |
|---|---|---|
| Name: | M1L-663,581 | |
| Description: | Systematic name: 7-Chloro-3-[5-(2-hydroxy-2-propanyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4,5-dihydro-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H16ClN5O3/c1-17(2,25)16-20-14(21-26-16)13-11-7-22(3)15(24)12-9(18)5-4-6-10(12)23(11)8-19-13/h4-6,8,25H,7H2,1-3H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.34 |
experimental value |
| -0.752 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.7361 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |