CHEMBL234422


SMILES COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1
InChIKey FFXLCCZAXLBJFW-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 532.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.66 7.66 7.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database