CHEMBL236832


SMILES COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1
InChIKey AOESATFDEMWHLJ-SZPZYZBQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 517.3

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 6.82 6.82 6.82 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.29 8.29 8.29 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.06 8.06 8.06 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database