CHEMBL4780509


SMILES COc1ccc2cnnc(CCNC(=O)C3CC3)c2c1
InChIKey JDWBNGMESBOMNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 271.1

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 5.86 5.86 5.86 ChEMBL
MT1 MTR1A Human Melatonin A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 5.9 5.9 5.9 ChEMBL