CHEMBL92860


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2
InChIKey XHLHZPFSBCZVEA-HOFKKMOUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 473.2

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 7.02 7.57 7.85 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.02 8.68 9.1 ChEMBL
H1 HRH1 Human Histamine A pKi 6.34 6.34 6.34 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.03 8.28 8.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.97 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database