CHEMBL4087633


SMILES COc1ccc2cccc([C@@H](CO)CNC(=O)CF)c2c1
InChIKey UABQHOOBSITMAZ-GFCCVEGCSA-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 9.01 9.01 9.01 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.23 8.23 8.23 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.1 9.1 9.1 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.1 7.1 7.1 ChEMBL