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:	164
	Name:	Domperidone
	Description:
	Labels:	Blood, in_vivo
	CAS:
	InChi Code:	InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)

Properties

logBB: Blood-brain distribution

Value	Source or prediction
-0.93	experimental value
-0.481	Eq2: Model for drug-like chemicals, in vivo (Training set)
-0.4771	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID1045116	US EPA CompTox Dashboard