CHEMBL4294790


SMILES CCCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c21
InChIKey FJZLFDXDGHUWEY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 312.2

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 9.7 9.7 9.7 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.3 8.3 8.3 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.7 7.7 7.7 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.52 7.52 7.52 ChEMBL