CHEMBL391017


SMILES COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1
InChIKey KCWSSYYCEGZXTI-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 488.2

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 6.57 6.57 6.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.87 7.87 7.87 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.12 7.12 7.12 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.37 7.37 7.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database