CHEMBL3409256


SMILES NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIKey KWZBJWOQFABHPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 518.2

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
α2C ADA2C Human Adrenoceptors A pKi 6.72 6.72 6.72 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
H1 HRH1 Human Histamine A pKi 6.8 6.8 6.8 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.15 8.15 8.15 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.77 7.77 7.77 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 10.0 10.0 10.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.54 7.54 7.54 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.27 7.27 7.27 ChEMBL