2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)-quinoline-6-carbonitrile


SMILES CC1=NC2=C(C=C1)C3=C(C=C2)OCC(O3)CN4CCN(CC4)C5=NC6=C(C=C5)C=C(C=C6)C#N
InChIKey AIBSVCNXTNBLRF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 451.2

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 8.43 8.43 8.43 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.88 5.88 5.88 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.88 5.88 5.88 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.85 5.85 5.85 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database