CHEMBL3580916


SMILES COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1
InChIKey ZGFUHVGCOVQFNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 257.1

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 6.72 6.72 6.72 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 5.8 5.92 6.05 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.02 6.02 6.02 ChEMBL