CHEMBL2112985


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2
InChIKey JODRRUQCPGURFJ-FSTMKDAKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 462.3

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
α2C ADA2C Human Adrenoceptors A pKi 10.0 10.0 10.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database