CHEMBL3759054


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

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 297.1

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 7.62 7.62 7.62 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.06 8.06 8.06 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.09 8.09 8.09 ChEMBL