CHEMBL234680


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1
InChIKey PAUUPYPPPJQSIG-YHBQERECSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 482.2

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 7.51 7.51 7.51 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.11 9.11 9.11 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database