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:133
Name:Biperiden
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.85

experimental value

0.596

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

0.5914

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

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