10967/132 - QDB Compounds

QsarDB Repository

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:194
Name:Mefloquine
Description:Alternative name from original table: (+ve) (AI-8)
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.63

experimental value

0.276

Eq2: Model for drug-like chemicals, in vivo (Training set)

0.2917

Eq5: Model for all chemicals, in vivo and in vitro (Training set)