CHEMBL3800636


SMILES COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey FNDYKBLJPFQMEN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 421.2

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
β1 ADRB1 Mouse Adrenoceptors A pKi 5.64 5.64 5.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.42 7.42 7.42 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.07 6.07 6.07 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.28 7.28 7.28 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.92 7.06 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 4.33 4.33 4.33 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.58 6.27 6.96 ChEMBL