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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.43 5.43 5.43 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL