CHEMBL1094212


SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12
InChIKey VDBKGGONHKGNTE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 483.2

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 8.19 8.19 8.19 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.05 10.05 10.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.58 7.58 7.58 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.62 8.62 8.62 ChEMBL