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:209
Name:Northioridazine
Description:
Labels:Serum, in_vivo
CAS:
InChi Code:InChI=1S/C20H24N2S2/c1-23-16-8-9-20-18(13-16)22(12-10-15-5-4-11-21-14-15)17-6-2-3-7-19(17)24-20/h2-3,6-9,13,15,21H,4-5,10-12,14H2,1H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.75

experimental value

0.805

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

0.7487

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