CHEMBL1774991


SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
InChIKey YTOGOMGUCNEXIR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 568.1

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.73 6.73 6.73 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.01 7.01 7.01 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.48 6.48 6.48 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.11 7.11 7.11 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.66 8.81 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.59 8.59 8.59 ChEMBL