CHEMBL4279639


SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey NHAYNJQFWGVURE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 284.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.01 8.62 10.15 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.5 8.71 9.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.77 7.29 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.52 8.87 9.22 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.3 8.41 8.52 ChEMBL