CHEMBL228496


SMILES O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1
InChIKey RVPGPLCUKORXKA-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
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.58 6.58 6.58 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.23 8.23 8.23 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database