CHEMBL4097233


SMILES CCC(=O)NCC(CO)c1cccc2ccc(OC)cc12
InChIKey HEPRAZQZDVDTHU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 287.2

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 8.53 8.53 8.53 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.87 8.87 8.87 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.56 8.56 8.56 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.31 7.31 7.31 ChEMBL