CHEMBL238402


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC
InChIKey KBDQCTAMVLZQJL-MXVIHJGJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 557.2

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 7.41 7.41 7.41 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.08 8.08 8.08 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.94 6.94 6.94 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database