CHEMBL387832


SMILES O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1
InChIKey GAFGMUJBSNDSHX-BGYRXZFFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 562.2

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 7.12 7.12 7.12 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.57 8.57 8.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.27 8.27 8.27 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database