CHEMBL4074895


SMILES CCC(=O)NC[C@H](CO)c1cccc2ccc(OC)cc12
InChIKey HEPRAZQZDVDTHU-CYBMUJFWSA-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 9.5 9.5 9.5 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.47 8.47 8.47 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.9 8.9 8.9 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.71 7.71 7.71 ChEMBL