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:189
Name:Lidocaine
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.34

experimental value

0.329

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

0.3338

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

Links to External Resources