DIMETHYL FUMARATE

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Search structure


Trade Names	DIMETHYL FUMARATE TECFIDERA
Synonyms	AZL 0 211089 AZL O 211089 AZL-0211089 AZL-O-211089 BG 00012 BG 12 BG-00012 BG-12 BG00012 Dimethyl fumar Dimethyl fumarate FAG-201 FP-187 FP187 Fumaric acid dimethyl ester
Status
Molecule Category	Free-form
ATC	L04AX07
UNII	FO2303MNI2

Structure


InChI Key	LDCRTTXIJACKKU-ONEGZZNKSA-N
Smiles	COC(=O)/C=C/C(=O)OC
InChI	InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H8O4
Molecular Weight	144.13
AlogP	-0.11
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	52.6
Heavy Atoms	10.0

Pharmacology

Mechanism of Action	Action	Reference
Kelch-like ECH-associated protein 1 inhibitor	INHIBITOR	PubMed PubMed PubMed DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	-	-	-	22
Unclassified protein	-	-	-	-	65.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Candida albicans	-	-	-	-	0.58
Homo sapiens	-	-	-	-	21-65.2

Cross References

Resources	Reference
ChEBI	76004
ChEMBL	CHEMBL2107333
DrugBank	DB08908
DrugCentral	4757
FDA SRS	FO2303MNI2
Guide to Pharmacology	7045
PDB	EOU
PharmGKB	PA166152838
PubChem	637568
SureChEMBL	SCHEMBL41835
ZINC	ZINC000003843378

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025