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:279
Name:Terbinafine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.09

experimental value

1.085

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

1.0463

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

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