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:155
Name:Desipramine
Description:
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
1.00

experimental value

0.564

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

0.5358

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

Links to External Resources