CHEMBL4852440


SMILES CCOc1nc2ccc3c(c2n1CCNC(C)=O)CCO3
InChIKey ACDRXLLSQSDDRX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 289.1

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 9.62 9.62 9.62 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.47 9.47 9.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 10.3 10.3 10.3 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.49 9.96 10.43 ChEMBL