CHEMBL4286896


SMILES CCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c21
InChIKey GEPMWQKOJVVCJX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 312.2

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
MT1 MTR1A Human Melatonin A pKi 9.1 9.1 9.1 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 8.3 8.3 8.3 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 9.52 9.52 9.52 ChEMBL