CHEMBL236621


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC
InChIKey YJXYZPLPRPNAPZ-HZCBDIJESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 517.3

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 6.9 6.9 6.9 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.62 7.62 7.62 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database