CHEMBL429076


SMILES COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1
InChIKey MDOKTLACQIDXQG-HZCBDIJESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 565.2

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
α1D ADA1D Human Adrenoceptors A pKi 7.42 7.42 7.42 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.0 8.0 8.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.44 7.44 7.44 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database