CHEMBL276932


SMILES CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC
InChIKey IJMJOPSALFMSMQ-MHAUTQJVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 636.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.55 6.55 6.55 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.9 8.9 8.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database