CHEMBL108531


SMILES Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1
InChIKey STFIELBPKGAKNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 302.2

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 7.32 7.94 9.17 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.64 6.64 6.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.62 7.62 7.62 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