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:261
Name:SKB20
Description:Systematic name: N-(4-(3-aminophenyl)-2-thiazolyl)guanidine
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C10H11N5S/c11-7-3-1-2-6(4-7)8-5-16-10(14-8)15-9(12)13/h1-5H,11H2,(H4,12,13,14,15)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-1.15

experimental value

-0.525

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

-0.5385

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