4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2'-pyrimidyl)piperazine


SMILES COC1=CC=CC(=C1)CCC2=CC=CC=C2OCCCCN3CCN(CC3)C4=NC=CC=N4
InChIKey KBVKGDXJIDQBBH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 446.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database