General
Preferred name
EDARAVONE
Synonyms
Edarabone ()
MCI-186 ()
Edaravone (MCI-186) ()
NSC-12 ()
Colorex pmp ()
NSC-26139 ()
Phenyl methyl pyrazolone ()
Radicava ors ()
C.i. developer 1 ()
NSC-2629 ()
Jarocol pmp ()
Radicava ()
Antipyrine related compound a ()
Radicut ()
Developer z ()
Norphenazone ()
P&D ID
PD000969
CAS
89-25-8
115566-83-1
Tags
drug
natural product
available
Approved by
FDA
PMDA
First approval
2001
2017
Drug indication
Amyotrophic lateral 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()] ]]
Description
(extracted from source data)
TOXICITY
No reported evidence of carcinogenic, mutagenic or teratogenic potential. Oral LD50 value is 1,915 mg/kg (Rat).; Adverse effects include rashes, hypertension, altered hepatic function, and acute renal impairment. Hematological abnormalities, lung injury and rhabomyolysis may occur with no known incidences.
METABOLISM
Multiple renal and hepatic uridine diphosphate glucuronosyltransferase (UGT) isoforms catalyze glucuronidation reaction of edaravone to form glucuronide conjugates. ; Edaravone is also metabolized into sulfate conjugates via sulfotransferase activity, which is the main metabolite form predominantly found circulating in plasma. It is predicted that the sulfate conjugate is hydrolyzed back to edaravone, which is then converted to the glucuronide conjugate in the human kidney before excretion into the urine. These metabolites have no pharmacological activity.
DESCRIPTION
Edaravone (MCI-186) is a free radical scavenger . It is used clinically for its neuroprotective action.
(GtoPdb)
DESCRIPTION
Selective sigma1 ligand, putative antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
Anti-ischemic and antioxidant
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
23
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Molecular Weight
174.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.8
TPSA
32.67
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Apoptosis
Metabolic Enzyme/Protease
Target
Free radical scavengers
MMP
antioxidant
Primary Target
Antioxidants
Source data
