CHEMBL3758225


SMILES COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
InChIKey QPKNKIVHVXHLQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 269.1

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 9.15 9.15 9.15 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.85 8.85 8.85 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.32 8.32 8.32 ChEMBL