General
Preferred name
Citraconic acid
Synonyms
2-Methylmaleic Acid ()
Cis-Methylbutenedioic Acid ()
Methylmaleic Acid ()
CA ()
P&D ID
PD006440
CAS
7407-59-2
498-23-7
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Citraconic acid (Methylmaleic acid) is an orally active inhibitor targeting the NLRP3 inflammasome and Keap1-Nrf2 pathway. Citraconic acid reduces reactive oxygen species (ROS) generation by inhibiting succinate dehydrogenase (SDH) activity. Citraconic acid also modifies the conformation of Keap1 protein, relieves its inhibition of Nrf2, promotes antioxidant gene expression, and inhibits NLRP3 activation and the release of pro-inflammatory factors such as IL-1¦Â and IL-18. Citraconic acid has anti-inflammatory and antioxidant activities, can reduce oxidative stress and cell pyroptosis, improve tissue damage, and can be used for the research of inflammation-related diseases such as acute renal ischemia-reperfusion injury. Citraconic acid is an isomer of Itaconic acid (HY-Y052)[1][2][3].
PRICE 29
DESCRIPTION Citraconic acid (2-Methylmaleic Acid) is a dicarboxylic acid consisting of maleic acid having a methyl substituent at the 2-position. (TargetMol Bioactive Compound Library)
Compound Sets
6
DrugBank
DB04734
DrugMAP
DMCIM9A
MedChem Express Bioactive Compound Library
HY-113298
Other bioactive compounds
Selleckchem Bioactive Compound Library
citraconic-acid
TargetMol Bioactive Compound Library
T4525
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
130.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.1
TPSA
74.6
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Keap1-Nrf2
NOD-like Receptor (NLR)
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Metabolism
NF-¦ÊB
Source data