CHEMBL497749


SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIKey YRVKJIDCHIEELY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 439.2

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
D3 DRD3 Rat Dopamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.34 8.34 8.34 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.33 8.33 8.33 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.95 6.95 6.95 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 7.7 7.7 7.7 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.58 5.58 5.58 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.62 6.62 6.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.07 7.07 7.07 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.34 8.34 8.34 ChEMBL