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:238
Name:Promazine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.67

experimental value

0.735

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

0.6942

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

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