General
Preferred name
FUMARIC ACID
Synonyms
2-Butenedioic acid ()
Trans-Butenedioic acid ()
Allomaleic acid ()
Donitic acid ()
Lichenic acid ()
Fumarate ()
Boletic acid ()
2-Butenedioic acid, Trans-Butenedioic acid, Allomaleic acid, Boletic acid, Donitic acid, Lichenic acid, Fumarate ()
INS-297 ()
Fumaricum acidum ()
INS NO.297 ()
Boletic-acid ()
Monosodium fumarate ()
2-butenedioic acid, (e)- ()
NSC-2752 ()
Allomaleic-acid ()
E-297 ()
FEMA NO. 2488 ()
E297 ()
P&D ID
PD073658
CAS
110-17-8
6915-18-0
110-16-7
142-42-7
Tags
available
drug candidate
drug
covalent binder
Drug indication
Discovery agent
Acidifier
Pustular palmoplantar psoriasis
Multiple sclerosis
Drug Status
approved
investigational
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
12
ChEMBL Approved Drugs
ChEMBL Drugs
CovalentInDB
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
57
Properties
(calculated by RDKit )
Molecular Weight
116.01
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.29
TPSA
74.6
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
Target
Endogenous Metabolite
p38 MAPK
Source data
