CHEMBL4854836


SMILES COc1ccc2nc(OC)n(CCCNC(C)=O)c2c1
InChIKey IGBXTAHNBAVPGY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 277.1

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 7.96 7.96 7.96 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.7 8.7 8.7 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.72 9.18 9.63 ChEMBL