CHEMBL222928


SMILES CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1
InChIKey NMSAVNXFCXMJJY-UHFFFAOYSA-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 6.18 6.18 6.18 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 6.8 6.95 7.0 ChEMBL