CHEMBL439197


SMILES O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2
InChIKey PPAIEDLGYFCKEB-OYRHEFFESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 554.2

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 7.04 7.04 7.04 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.52 8.52 8.52 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.4 8.4 8.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database