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]
ATC Code
D05AX01: Fumaric acid
D05AX: Other antipsoriatics for topical use
D05A: ANTIPSORIATICS FOR TOPICAL USE
D05: ANTIPSORIATICS
D: DERMATOLOGICALS
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) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL503160
CAS Number
110-17-8
UNII
88XHZ13131
DrugBank ID
DB01677
TTD ID
D03GOO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Biotin--protein ligase (HLCS) OTPDUX30 BPL1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.