CHEMBL161780


SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
InChIKey MGCUTECDFDAQCK-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 440.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 7.21 7.21 7.21 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pIC50 8.96 8.96 8.96 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 8.46 8.46 8.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.24 5.24 5.24 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.39 7.39 7.39 ChEMBL