CHEMBL4755860


SMILES COc1ccc2ncnc(CCNC(C)=O)c2c1
InChIKey XIKRGGZCTKMFQJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 245.1

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 6.94 6.94 6.94 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.08 6.08 6.08 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 5.58 5.58 5.58 ChEMBL