CHEMBL3580908


SMILES C#CCNC(=O)CCc1c[nH]c2ccc(OC)cc12
InChIKey LVHAYRSOCMMKEC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 256.1

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 9.0 9.0 9.0 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.52 8.52 8.52 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.42 7.42 7.42 ChEMBL