CHEMBL228659


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC
InChIKey AEJCTJSNUNXYQL-ZRZAMGCNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 534.3

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
α1A ADA1A Human Adrenoceptors A pKi 8.48 8.48 8.48 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.8 8.8 8.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.75 6.75 6.75 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database