CHEMBL1771109


SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccco4)ccc3C2=O)CC1
InChIKey NEDWSVCVHMJKSZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 459.3

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-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
D1 DRD1 Pig Dopamine A pKi 6.24 6.24 6.24 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.48 8.48 8.48 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.68 9.68 9.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.8 8.06 8.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.64 8.64 8.64 ChEMBL