2-methoxy-α,β-didehydro-agomelatine


SMILES COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC
InChIKey HMYFXYOFPXZULT-CMDGGOBGSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 271.1

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 10.52 10.52 10.52 ChEMBL
MT1 MTR1A Human Melatonin A pKi 10.5 10.5 10.5 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 10.15 10.15 10.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database