CHEMBL269004


SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1
InChIKey MDBWEQVKJDMEMK-AWEZNQCLSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 247.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pKi 8.68 8.79 8.87 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.82 7.07 7.23 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.33 7.33 7.33 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 4.4 4.4 4.4 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.27 9.27 9.27 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.85 8.07 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 9.2 9.2 9.2 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.39 7.39 7.39 ChEMBL