CHEMBL1097315


SMILES C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12
InChIKey OLKIGINISJLZQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 17
Molecular weight (Da) 564.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.96 7.96 7.96 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.04 9.04 9.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.4 7.4 7.4 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.79 7.79 7.79 ChEMBL