CHEMBL4072821


SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(c4ccccc4OC)CC3)ccn2n1
InChIKey HSTZLQFEUGWBDW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 452.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 6.39 6.39 6.39 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.96 7.96 7.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.11 7.11 7.11 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.13 8.13 8.13 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.09 8.11 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.3 7.3 7.3 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.16 6.44 6.72 ChEMBL