CHEMBL4083239


SMILES O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1
InChIKey VJUQIMXHRMEYAS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 462.2

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
D5 DRD5 Human Dopamine A pKi 5.03 5.03 5.03 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.27 5.27 5.27 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.18 7.18 7.18 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.66 5.66 5.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.0 9.03 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.03 7.03 7.03 ChEMBL