CHEMBL387833


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC
InChIKey QLLKZBYEHJGRHK-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 538.2

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 6.52 6.54 6.56 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.92 7.92 7.92 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.07 8.23 8.39 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.56 6.6 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database