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:151
Name:Codeine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-0.22

experimental value

-0.157

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

-0.1488

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