CHEMBL228389


SMILES COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC
InChIKey USIWFTPEBGPOSA-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 556.2

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
α1A ADA1A Human Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database