CHEMBL414628


SMILES COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1
InChIKey JZKXKHVOIUMWCS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 499.0

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-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 9.5 9.5 9.5 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 9.5 9.5 9.5 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.0 6.0 6.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.6 5.6 5.6 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database