CHEMBL3323665


SMILES CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1
InChIKey CDDUMSDWPMBQGF-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 372.2

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
β1 ADRB1 Human Adrenoceptors A pKi 7.55 7.55 7.55 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 7.85 7.85 7.85 ChEMBL