CHEMBL393725


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 501.3

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 6.79 6.79 6.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.75 7.75 7.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database