CHEMBL4095334


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

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 291.1

Drug properties

Molecular type Small molecule
Endogenous/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 9.27 9.27 9.27 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.33 8.33 8.33 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.2 9.2 9.2 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.6 7.6 7.6 ChEMBL