CHEMBL109063


SMILES Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1
InChIKey KAPNJGZVRYPTJW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 303.2

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
D2 DRD2 Rat Dopamine A pKi 7.48 7.56 7.72 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.56 6.56 6.56 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.15 8.15 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 9.3 9.3 9.3 ChEMBL