CHEMBL4747996


SMILES COc1cccc(-c2nc(CCNC(C)=O)c3cc(OC)ccc3n2)c1
InChIKey UEPYGYMEOKIHIQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 351.2

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 7.34 7.34 7.34 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.26 6.26 6.26 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.49 6.49 6.49 ChEMBL