CHEMBL2312227


SMILES COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1
InChIKey HIASEHRDTBGCHW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 419.2

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
α1B ADA1B Human Adrenoceptors A pKi 7.25 7.25 7.25 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.94 8.94 8.94 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.08 8.08 8.08 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.56 7.56 7.56 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.88 7.88 7.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.18 9.18 9.18 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.91 7.91 7.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 8.85 8.85 8.85 ChEMBL