difluoroagomelatine


SMILES COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2
InChIKey UTLRQLQDJLNKNY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 279.1

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
MT1 MTR1A Human Melatonin A pKi 10.5 10.5 10.5 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.07 9.07 9.07 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.27 10.27 10.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database