CHEMBL236617


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIKey UHPXZGGJCMUMGZ-SZPZYZBQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 535.2

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 6.71 6.71 6.71 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.47 8.47 8.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.32 8.32 8.32 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.91 6.91 6.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database