CHEMBL398525


SMILES CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21
InChIKey FQBBSOFRGNNFDV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 448.2

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
α1A ADA1A Rat Adrenoceptors A pKi 9.31 9.31 9.31 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database