CHEMBL4102177


SMILES COc1ccc2cccc(CCNC(C)=O)c2n1
InChIKey JOEAUASPZYBRHH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 244.1

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 9.7 9.7 9.7 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.7 9.7 9.7 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.1 9.1 9.1 ChEMBL