CHEMBL229084


SMILES CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1
InChIKey NHRXMVNDSUMAIN-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 492.2

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 8.85 8.85 8.85 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.86 5.86 5.86 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.06 7.06 7.06 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database