CHEMBL3648358


SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21
InChIKey JROBZLKCLLSHNV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 272.2

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 10.06 10.06 10.06 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.17 10.17 10.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pIC50 9.55 9.55 9.55 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 9.89 9.89 9.89 ChEMBL