CHEMBL97186


SMILES C=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIKey XMTSESOIXWPAFE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 349.2

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 10.22 10.22 10.22 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.46 8.46 8.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.77 9.77 9.77 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.6 7.6 7.6 ChEMBL