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:286
Name:Thioridazine
Description:
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.24

experimental value

0.833

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

0.7830

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

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