CHEMBL3287397


SMILES O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIKey VPYCAVXBANQPPA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 446.1

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
D4 DRD4 Human Dopamine A pKi 7.24 7.24 7.24 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.01 6.01 6.01 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.16 8.16 8.16 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.62 6.62 6.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.34 8.41 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.72 8.72 8.72 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.44 6.44 6.44 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.19 6.19 6.19 ChEMBL