CHEMBL391530


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC
InChIKey YJXYZPLPRPNAPZ-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
Endogenous/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 6.95 6.96 6.97 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.21 8.24 8.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.72 8.63 9.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.09 6.66 7.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database