CHEMBL518113


SMILES CCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12
InChIKey XUNUQRPRCURIQA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 363.2

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 9.28 9.28 9.28 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.9 6.9 6.9 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.28 9.28 9.28 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.15 9.15 9.15 ChEMBL