monomethyl fumarate [5274]



monomethyl fumarate


SMILES COC(=O)/C=C/C(=O)O
InChIKey NKHAVTQWNUWKEO-NSCUHMNNSA-N

Chemical Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Log P -0.200
Molecular weight (Da) 130.0
Stereochemistry info unspecified

Database connections

Structure pdb 8JHN 8JIM

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

monomethyl fumarate


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 8JHN 8JIM

Compound is not listed as a drug.