CHEMBL3648356


SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21
InChIKey CCRUCMHMQXUZAT-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 258.1

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 10.15 10.15 10.15 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.51 10.51 10.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pIC50 9.89 9.89 9.89 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 9.29 9.29 9.29 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 10.24 10.24 10.24 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 10.82 10.82 10.82 ChEMBL