CHEMBL1908863


SMILES COc1cc(CCNCc2ccccc2OC)c(OC)cc1I
InChIKey ZFUOLNAKPBFDIJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 427.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT2A

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 6.72 6.72 6.72 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.14 7.14 7.14 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.64 7.64 8.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.15 8.43 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKd 9.82 9.91 10.01 ChEMBL
κ OPRK Human Opioid A pKi 6.54 6.54 6.54 ChEMBL
μ OPRM Human Opioid A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database