CHEMBL390129


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC
InChIKey ACYCBNFGNBHQEP-ZRZAMGCNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 516.3

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 6.82 6.83 6.84 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.77 8.94 9.11 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.66 8.7 8.74 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.78 6.81 6.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database