CHEMBL2443008


SMILES COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1
InChIKey UYUTUOIZGIGQQA-VIVFLBMVSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 587.3

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
β1 ADRB1 Pig Adrenoceptors A pKi 6.68 6.68 6.68 ChEMBL
D1 DRD1 Pig Dopamine A pKi 4.8 4.8 4.8 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.5 7.5 7.5 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.24 5.24 5.24 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.39 5.61 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database