CHEMBL3580919


SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1
InChIKey RRCYFTXMWOJGMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 259.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pKi 8.4 8.4 8.4 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.54 7.9 8.26 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.49 6.91 7.32 ChEMBL