CHEMBL229085


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC
InChIKey JFRXSPVSGNWHOD-SZPZYZBQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 514.3

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
α1A ADA1A Human Adrenoceptors A pKi 9.04 9.04 9.04 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.85 6.85 6.85 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.84 6.84 6.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database