SB 271046


SMILES COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl
InChIKey LOCQRDBFWSXQQI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 451.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT6

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.4 6.47 8.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.89 6.89 6.89 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.89 8.86 9.2 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.7 5.98 6.28 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.88 6.16 6.3 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.4 6.42 6.47 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.6 5.85 6.34 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 8.7 8.7 8.7 ChEMBL