DIMETHYL FUMARATE

Search structure


Trade Names:	DIMETHYL FUMARATE TECFIDERA
Synonyms:	AZL 0 211089 AZL-0211089 AZL O 211089 AZL-O-211089 BG 00012 BG-00012 BG00012 BG 12 BG-12 Dimethyl fumar Dimethyl fumarate FAG-201 FP-187 FP187 Fumaric acid dimethyl ester Las41008 LAS-41008 LAS41008 NSC-167432 NSC-25942 Panaclar Tecfidera
Status:	Approved (2013)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	L04AX07
UNII:	FO2303MNI2

Structure


InChI Key	LDCRTTXIJACKKU-ONEGZZNKSA-N
Smile	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
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	52.6
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	10.0

Pharmacology

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	-	-	-	22
Transcription factor	5110	-	-	-	-
Unclassified protein	5110	-	-	-	65

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Multiple Sclerosis	4	D009103	ClinicalTrials
Psoriasis	3	D011565	ClinicalTrials
Multiple Sclerosis, Chronic Progressive	3	D020528	ClinicalTrials
Multiple Sclerosis, Chronic Progressive	3	D020528	ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting	3	D020529	ClinicalTrials
Ischemic Stroke	2	D000083242	ClinicalTrials
Lymphoma, T-Cell, Cutaneous	2	D016410	ClinicalTrials
Sleep Apnea, Obstructive	2	D020181	ClinicalTrials
Arthritis, Rheumatoid	2	D001172	ClinicalTrials
Arthritis, Psoriatic	2	D015535	ClinicalTrials
Severe Acute Respiratory Syndrome	2	D045169	ClinicalTrials
Cerebral Hemorrhage	2	D002543	ClinicalTrials
Gliosarcoma	1	D018316	ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell	1	D015451	ClinicalTrials

Related Entries

MCS

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend :

Indication

Mechanism of Action

Primary Target

Target Level

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
General disorders and administration site conditions	16.32
Nervous system disorders	14.71
Gastrointestinal disorders	14.61
Skin and subcutaneous tissue disorders	10.36
Vascular disorders	6.8
Psychiatric disorders	5.6
Musculoskeletal and connective tissue disorders	5.36
Injury, poisoning and procedural complications	4.64
Respiratory, thoracic and mediastinal disorders	3.31
Infections and infestations	3.02
Investigations	2.49
Cardiac disorders	2.16
Immune system disorders	2.15

Cross References

Resources	Reference
CAS NUMBER	624-49-7
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

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