CHEMBL1739606


SMILES CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1
InChIKey JHVNSHBHMRPFIN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 398.2

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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.83 5.83 5.83 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.07 6.07 6.07 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.49 5.49 5.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.85 7.85 7.85 ChEMBL