CHEMBL2443003


SMILES COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1
InChIKey WHDATORJGMRETC-OUUBHVDSSA-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 5.6 5.6 5.6 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.47 6.47 6.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 4.6 4.6 4.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.29 4.46 4.62 ChEMBL
D1 DRD1 Pig Dopamine A pKi 4.11 4.11 4.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database