CHEMBL242693


SMILES C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1
InChIKey NMSAVNXFCXMJJY-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 311.1

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
α2B ADA2B Human Adrenoceptors A pKi 6.13 6.13 6.13 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.44 6.54 6.59 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 7.42 7.81 8.0 ChEMBL