CHEMBL4739898


SMILES COc1ccc2nc(-c3ccccc3)nc(CCNC(C)=O)c2c1
InChIKey BLVHQCHVWVWJQJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 321.1

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 7.81 7.81 7.81 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.62 6.62 6.62 ChEMBL