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:244
Name:Pyrilamine
Description:Alternative names from original table: (Mepyramine SKB7)
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.50

experimental value

0.222

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

0.2203

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

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