CHEMBL186586


SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12
InChIKey VECIKHNMWFUKTJ-YDNXMHBPSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 361.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.0 8.0 8.0 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.59 8.59 8.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.68 7.68 7.68 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.22 9.22 9.22 ChEMBL