CHEMBL2112969


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2
InChIKey AIWNTZODSQLIEU-RDPSFJRHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 470.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 8.8 8.8 8.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database