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

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 5.97 6.39 6.6 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.58 5.66 5.7 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.68 5.68 5.68 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
α2A ADA2A Human Adrenoceptors A pKi 6.23 6.23 6.23 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-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.7 5.96 6.28 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.88 6.25 6.5 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
κ OPRK Human Opioid A pKi 6.05 6.05 6.05 ChEMBL
μ OPRM Human Opioid A pKi 5.45 5.45 5.45 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.6 5.85 6.34 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.4 6.42 6.47 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.72 5.72 5.72 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.35 5.35 5.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FPR3 FPR3 Human Formylpeptide A pIC50 5.37 5.37 5.37 ChEMBL
GPR183 GP183 Human Orphan A pIC50 5.2 5.2 5.2 ChEMBL
CX3CR1 CX3C1 Human Chemokine A pIC50 5.42 5.42 5.42 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 8.7 8.7 8.7 ChEMBL