CHEMBL4867565


SMILES O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIKey QNKGTIWNFNPEJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 410.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.54 5.54 5.54 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.05 6.05 6.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.34 5.34 5.34 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
H1 HRH1 Human Histamine A pKi 6.66 6.66 6.66 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.77 6.77 6.77 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.71 5.71 5.71 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.52 8.52 8.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.68 6.68 6.68 ChEMBL
κ OPRK Human Opioid A pKi 5.49 5.49 5.49 ChEMBL
μ OPRM Human Opioid A pKi 5.54 5.54 5.54 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database