CHEMBL3580910


SMILES C=CCNC(=O)CCc1c[nH]c2ccc(OC)cc12
InChIKey JXBBKUQHMIWSST-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 258.1

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 9.35 9.35 9.35 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.96 7.96 7.96 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.69 6.69 6.69 ChEMBL