CHEMBL2443002


SMILES COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1
InChIKey SSVIIFPCYYWMIA-LASHMREHSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 437.2

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
β1 ADRB1 Pig Adrenoceptors A pKi 6.31 6.31 6.31 ChEMBL
D1 DRD1 Pig Dopamine A pKi 4.27 4.27 4.27 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.3 6.3 6.3 ChEMBL
D3 DRD3 Human Dopamine A pKi 4.77 4.77 4.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.38 4.51 4.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database