CHEMBL391016


SMILES CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1
InChIKey XOZBPBSXMJMBOL-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 458.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.72 6.72 6.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.24 8.24 8.24 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.26 8.26 8.26 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database