CHEMBL4741978


SMILES C#CCN(C)Cc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1
InChIKey CUFJQHNVDRIQJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 584.3

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
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.42 7.42 7.42 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.17 6.17 6.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.07 6.07 6.07 ChEMBL