CHEMBL232592


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1
InChIKey HEEKUWDLPPDKMK-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 502.2

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
α1D ADA1D Human Adrenoceptors A pKi 8.6 8.6 8.6 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.7 6.7 6.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database