Details of the Drug

General Information of Drug (ID: DMP83UZ)

Drug Name

Fumaric acid

Synonyms

Fum; Fumarsaeure; Acidum fumaricum; Allomaleic acid; Allomalenic acid; Ammonium fumarate; Boletic acid; Butenedioic acid; Kyselina fumarova; Kyselina fumarova [Czech]; Lichenic acid; Tumaric acid; F0067; OR17920; FC 33 (acid); Fumarate, 10; Fumaric acid (8CI); Fumaric acid (NF); Lichenic acid (VAN); S04-0167; Trans-Butenedioic acid; U-1149; E-2-Butenedioic acid; Trans-2-Butenedioic acid; USAF EK-P-583; Trans-1,2-Ethylenedicarboxylic acid; Trans-but-2-enedioic acid; (2E)-2-butenedioic acid; (2E)-but-2-enedioic acid; (E)-2-Butenedioic acid; 1,2-Ethylenedicarboxylic acid, (E); 2-(E)-Butenedioic acid; 2-Butenedioic acid; 2-Butenedioic acid (2E-(9CI)

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Phase 3	[1]
Pustular palmoplantar psoriasis	EA90	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

116.07

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C4H4O4
IUPAC Name: (E)-but-2-enedioic acid
Canonical SMILES: C(=C/C(=O)O)\\C(=O)O
InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKey: VZCYOOQTPOCHFL-OWOJBTEDSA-N

Cross-matching ID

PubChem CID: 444972
ChEBI ID: CHEBI:18012
CAS Number: 110-17-8
DrugBank ID: DB01677
TTD ID: D03GOO

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Interferon-gamma (IFNG)	TT93WF5	IFNG_HUMAN	Binder	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Biotin--protein ligase (HLCS)	OTPDUX30	BPL1_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Emerging oral drugs for multiple sclerosis. Expert Opin Emerg Drugs. 2008 Sep;13(3):465-77.
2	Resveratrol compounds inhibit human holocarboxylase synthetase and cause a lean phenotype in Drosophila melanogaster. J Nutr Biochem. 2015 Nov;26(11):1379-84. doi: 10.1016/j.jnutbio.2015.07.004. Epub 2015 Jul 26.