CHEMBL138807


SMILES COc1ccc2cccc(C(CO)CNC(C)=O)c2c1
InChIKey ACRFALLEPRLOAU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 273.1

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 7.86 7.86 7.86 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.96 7.96 7.96 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.84 6.84 6.84 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 7.7 7.7 7.7 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.14 7.14 7.14 ChEMBL