CHEMBL1807829


SMILES O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1
InChIKey PEVWKBRNDRRBCW-SFHVURJKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 515.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 7.0 7.0 7.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 7.1 7.1 7.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 8.8 8.8 8.8 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.4 6.4 6.4 ChEMBL