CHEMBL334529


SMILES CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
InChIKey HUXFXXWYIRBVJR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 415.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pKi 8.8 8.85 8.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.2 6.2 6.2 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.71 8.88 9.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 PDSP Ki database
α2A ADA2A Rat Adrenoceptors A pKi 6.4 6.4 6.4 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.1 7.1 7.1 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.86 7.03 7.2 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database