CHEMBL3799593


SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
InChIKey AFWAVLNIGSUCHI-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 319.1

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 Mouse Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.62 6.62 6.62 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.37 6.37 6.37 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.21 6.21 6.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.46 6.58 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 5.66 5.75 5.85 ChEMBL