CHEMBL3290012


SMILES O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1
InChIKey GXZWKZAOGQRNTL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 487.1

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
α2C ADA2C Human Adrenoceptors A pKi 8.72 8.72 8.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.1 9.1 9.1 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.72 8.76 8.8 ChEMBL
H1 HRH1 Human Histamine A pKi 7.16 7.16 7.16 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.48 8.48 8.48 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.85 7.85 7.85 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.19 8.29 8.39 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.27 6.27 6.27 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.96 6.96 6.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.22 9.26 9.3 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.96 8.96 8.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.7 8.72 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database