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
Molecular weight (Da) 130.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8JHN

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 6.75 6.75 6.75 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 6.74 6.74 6.74 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 5.03 5.03 5.03 Guide to Pharmacology