CHEMBL329086


SMILES C=CCC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12
InChIKey VBBQAIUYGLLDDE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 379.2

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 9.96 9.96 9.96 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.67 7.67 7.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.41 9.41 9.41 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 6.86 6.86 6.86 ChEMBL