CIFEA


SMILES CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2
InChIKey MMMAALHYEKMNHU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 339.2

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 10.9 10.9 10.9 Guide to Pharmacology
MT1 MTR1A Human Melatonin A pKi 8.04 8.04 8.04 ChEMBL
MT2 MTR1B Human Melatonin A pKi 10.92 10.92 10.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 8.35 8.35 8.35 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 8.88 8.88 8.88 ChEMBL