10967/132 - QDB Compounds

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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:146
Name:Chlorpromazine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
1.06

experimental value

0.925

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

0.8765

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

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