CHEMBL4292336


SMILES COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey QCENXOASTJWJCD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 299.2

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 10.0 10.0 10.0 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.22 9.22 9.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.4 9.4 9.4 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.3 8.3 8.3 ChEMBL