CHEMBL234854


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1
InChIKey XOZBPBSXMJMBOL-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 458.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 8.3 8.3 8.3 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.34 7.34 7.34 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.82 7.82 7.82 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database