CHEMBL4102628


SMILES O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1
InChIKey RWMHVMBWEZTTSB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 476.2

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
D1 DRD1 Human Dopamine A pKi 4.96 4.96 4.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.72 8.72 8.72 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.8 8.95 9.09 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.7 6.86 7.17 ChEMBL