CHEMBL228494


SMILES O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F
InChIKey HNTIGZIKHBPAFD-MXVIHJGJSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 548.2

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
α1A ADA1A Human Adrenoceptors A pKi 8.32 8.32 8.32 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.1 6.1 6.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.36 7.36 7.36 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database