CHEMBL4286494


SMILES CCS(=O)(=O)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey CJEVPKOFXNDAEO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 319.1

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 9.4 9.4 9.4 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.15 8.15 8.15 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.0 6.0 6.0 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 5.0 5.0 5.0 ChEMBL