CHEMBL419316


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2
InChIKey YMYZKGIHGMHZDL-WDAWEKNVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 463.2

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
α2B ADA2B Human Adrenoceptors A pKi 6.39 7.36 7.85 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.0 9.26 9.7 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.52 8.99 9.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database