CHEMBL91454


SMILES COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIKey WQBRLHICBUGYPB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 586.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database