MONOMETHYL FUMARATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 45IUB1PX8R

Structure
InChI Key NKHAVTQWNUWKEO-NSCUHMNNSA-N
Smile COC(=O)/C=C/C(=O)O
InChI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O4
Molecular Weight 130.1
AlogP -0.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Kelch-like ECH-associated protein 1 inhibitor PubMed PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Hydroxycarboxylic acid receptor
- - - 180 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 2756-87-8
ChEBI 167450
ChEMBL CHEMBL589586
DrugBank DB14219
FDA SRS 45IUB1PX8R
Guide to Pharmacology 5786
PubChem 5369209
SureChEMBL SCHEMBL60132
ZINC ZINC000004416885
CONTENTS