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:294
Name:Trifluoperazine
Description:
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
1.44

experimental value

0.716

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

0.6996

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

Links to External Resources