e-Drug3D

1625

DIMETHYL FUMARATE


INN
DIMETHYL FUMARATE

(has an active metabolite)

cas 624-49-7
CLASS

IMMUNOSUPPRESSANTS
TREATMENT OF TREATMENT OF PATIENTS WITH RELAPSING FORMS OF MULTIPLE SCLEROSIS
ACTIVATES THE NUCLEAR FACTOR (ERYTHROID-DERIVED 2)-LIKE 2 (NRF2) PATHWAY
METABOLITE MONOMETHYL FUMARATE IS A NICOTINIC ACID RECEPTOR AGONIST

ROUTE (list)

ORAL

ATC code

L04AX07

PK parameters

Solubility

HIGHLY SOLUBLE IN WATER


Target

TARGET NICOTINIC ACID RECEPTOR (NIACR)

PDB
6LRZ (CRYSTAL STRUCTURE OF KEAP1 IN COMPLEX WITH DIMETHYL FUMARATE (DMF))

Ligand code = EOU (link to the list of PDB complexes)

Download experimental 3D coordinates of EOU with added hydrogens

DrugCentral

Kelch-like ECH-associated protein 1 UNIPROT Q14145 KEAP1

Download SDF file 2-Butenedioic acid (2E)-, 1,4-dimethyl ester

Formula:
C6H8O4

Calculated chemical properties:

MW 144.12
NB_atoms 10
XLogP -0.11
PSA 53.094
NB_HD 0
NB_HA 4
fsp3 0.33
Lipinski(0=no;1=yes) 1

FDA
NDA 204063 (label) INN (DIMETHYL FUMARATE) TECFIDERA (BIOGEN INC) APPROVAL= AP YEAR= 2013
NDA 210291 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SHILPA MEDICARE LTD) APPROVAL= TA YEAR= 2018
NDA 210226 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (LUPIN) APPROVAL= AP YEAR= 2020
NDA 210499 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ACCORD HLTHCARE) APPROVAL= AP YEAR= 2020
NDA 210538 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 210382 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (TWI PHARMS) APPROVAL= AP YEAR= 2020
NDA 210309 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (GLENMARK PHARMS LTD) APPROVAL= AP YEAR= 2020
NDA 210305 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (CIPLA) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 210402 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (AMNEAL) APPROVAL= AP YEAR= 2020
NDA 210440 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ALKEM LABS LTD) APPROVAL= AP YEAR= 2020
NDA 210460 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MSN) APPROVAL= AP YEAR= 2020
NDA 210500 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (HETERO LABS LTD III) APPROVAL= AP YEAR= 2020
NDA 210531 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MYLAN) APPROVAL= AP YEAR= 2020
NDA 210436 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SOLA PHARMS) APPROVAL= AP YEAR= 2021
NDA 210285 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SAWAI USA) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 210385 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (AUROBINDO PHARMA) APPROVAL= AP YEAR= 2022
NDA 210414 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (PRINSTON INC) APPROVAL= AP YEAR= 2022
NDA 210377 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2024
NDA 210390 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (TORRENT) APPROVAL= AP YEAR= 2025 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL