CHEMBL4280601


SMILES COc1ccc2ccc3c(c2c1)C(CNS(C)(=O)=O)CC3
InChIKey HVMQNZKJECYRTM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 305.1

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
MT2 MTR1B Human Melatonin A pKi 10.0 10.0 10.0 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.1 9.1 9.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.0 9.0 9.0 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.4 8.4 8.4 ChEMBL