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:159
Name:Desmonomethylpromazine
Description:Alternative name from original table: (Monodesmethylpromazine)
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.59

experimental value

0.473

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

0.4329

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

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