CHEMBL236830


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIKey STAISUAHBRKLLH-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 541.2

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 8.68 8.68 8.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.77 7.77 7.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database