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:207
Name:Nevirapine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.00

experimental value

-0.086

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

-0.1203

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

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