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Compound Detail

CHEMBL290916

EDARAVONE
💊 Approved Drug
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💊 Approved Drug
CC1=NN(c2ccccc2)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290916
Name EDARAVONE
Phase Approved
Structure Type MOL
InChI Key QELUYTUMUWHWMC-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Antipyrine related compound a C.i. developer 1 Colorex pmp Developer z Edaravona Edaravone Jarocol pmp MCI-186 Norphenazone NSC-12 NSC-26139 NSC-2629 +4 more
10
Targets
22
Activities
2
Assay Types
18
PK Parameters
20
Publications
16
Known Names
7
Indications
1
Mechanisms

Molecular Properties

174.2
MW (Da)
1.80
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2017
Availability Prescription
Chirality Achiral

Routes of Administration

Oral Parenteral

Flags

Natural Product First in Class
USAN Year 2015

Extended Properties

Molecular Formula C10H10N2O
MW 174.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.09

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - - ✓ ✓

Indications

Amyotrophic Lateral Sclerosis Ischemic Stroke Brain Injuries Cerebral Hemorrhage Stroke Kidney Diseases Liver Diseases

ATC Classification

N07XX14
edaravone
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS

Activity Summary

IC50 18 meas. best 6.6
EC50 4 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.6 5.0975 250.0 4
Protein RecA
CHEMBL1741171
 EC50 5.53 5.53 2950.0 1
SH-SY5Y
CHEMBL614910
 EC50 5.43 5.43 3750.0 1
No relevant target
CHEMBL2362975
 IC50 5.35 4.8975 4500.0 4
Unchecked
CHEMBL612545
 EC50 5.34 5.34 4610.0 1
PC-12
CHEMBL612556
 EC50 5.04 5.04 9200.0 1
Liver microsomes
CHEMBL613694
 IC50 4.77 4.77 17000.0 1
Brain
CHEMBL613617
 IC50 4.74 4.74 18200.0 1
Radical scavenging activity
CHEMBL613712
 IC50 4.57 4.57 27000.0 1
Rattus norvegicus
CHEMBL376
 IC50 4.5 4.5 32000.0 1
Polyunsaturated fatty acid lipoxygenase ALOX15
CHEMBL3259476
 IC50 4.47 4.47 34000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.0008 mL.min-1.g-1 Homo sapiens
CL 0.0036 mL.min-1.g-1 Homo sapiens
CL 0.0018 mL.min-1.g-1 Homo sapiens
CL 0.0037 mL.min-1.g-1 Homo sapiens
CL 0.0013 mL.min-1.g-1 Homo sapiens
CL 0.0785 mL.min-1.g-1 Homo sapiens
CL 0.0453 mL.min-1.g-1 Homo sapiens
CL 0.0033 mL.min-1.g-1 Homo sapiens
CL 0.0007 mL.min-1.g-1 Homo sapiens
CL 0.0424 mL.min-1.g-1 Homo sapiens
CL 0.0017 mL.min-1.g-1 Homo sapiens
CL 0.0016 mL.min-1.g-1 Homo sapiens
CL 0.0002 mL.min-1.g-1 Homo sapiens
CL 0.0164 mL.min-1.g-1 Homo sapiens
CL 0.0084 mL.min-1.g-1 Homo sapiens
Cmax 20000.0 nM Rattus norvegicus
Cmax 6000.0 nM Homo sapiens
t1/2 - - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 250.0 nM 6.6 Hydroxy radical scavenging activity by ESR spin-trapping method 17850126
Protein RecA EC50 = 2950.0 nM 5.53 PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... -
SH-SY5Y EC50 = 3750.0 nM 5.43 Neuroprotective activity against H2O2-induced cell damage in human SH-SY5Y cells... 31541868
No relevant target IC50 = 4500.0 nM 5.35 Inhibition of lipid peroxidation 32241621
Unchecked EC50 = 4610.0 nM 5.34 Neuroprotective activity against H2O2-induced cell damage in human HBMEC2 cells ... 31541868
No relevant target IC50 = 9000.0 nM 5.05 Antioxidant activity assessed as copper-chelating scavenging activity 32241621
PC-12 EC50 = 9200.0 nM 5.04 Neuroprotective activity against 12.5 mM glutamate-induced toxicity in rat PC12 ... 28394604
Liver microsomes IC50 = 17000.0 nM 4.77 Antioxidant activity against Fe2SO4/ascorbate-induced lipid peroxidation in Wist... 19113954
Brain IC50 = 18200.0 nM 4.74 Neuroprotective activity in Wistar rat brain homogenate assessed as inhibition o... 36155354
Unchecked IC50 = 18700.0 nM 4.73 Glutathione peroxidase-like catalytic anti-lipid peroxidation activity assessed ... 33203607
No relevant target IC50 = 19700.0 nM 4.71 Antioxidant activity assessed as DPPH radical scavenging capacity after 30 mins ... 24928405
Radical scavenging activity IC50 = 27000.0 nM 4.57 Antioxidant effect assessed as DPPH radical scavenging activity 17343407
Unchecked IC50 = 29300.0 nM 4.53 Scavenging activity against DPPH 14552780
Unchecked IC50 = 29300.0 nM 4.53 Glutathione peroxidase-like catalytic anti-lipid peroxidation activity assessed ... 33203607
Rattus norvegicus IC50 = 32000.0 nM 4.5 Compound tested to inhibit (LPO) lipid peroxidation was determined in rat brain ... 14684319
No relevant target IC50 = 32797.0 nM 4.48 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 38266553
Polyunsaturated fatty acid lipoxygenase ALOX15 IC50 = 34000.0 nM 4.47 Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma 27777006

Literature References

PubMed DOI Target Context # Activities
22238289 10.1124/dmd.111.043356 Liver microsome 16
22238289 10.1124/dmd.111.043356 ADMET 15
24507926 10.1016/j.bmcl.2014.01.045 NON-PROTEIN TARGET 12
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 1A9 9
22827516 10.1021/jm300681r Rattus norvegicus 8
26189079 10.1016/j.bmcl.2015.06.090 NON-PROTEIN TARGET 6
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 2B17 6
39216381 10.1016/j.ejmech.2024.116795 HT-22 6
33784097 10.1021/acs.jmedchem.0c02129 Mus musculus 6
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 1A1 5
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 1A7 5
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 1-6 5
22238289 10.1124/dmd.111.043356 UDP-glucuronosyltransferase 2B7 5
27777006 10.1016/j.bmcl.2016.10.033 NON-PROTEIN TARGET 5
26375352 10.1016/j.ejmech.2015.08.057 NON-PROTEIN TARGET 4
19113954 10.1021/jm8007008 No relevant target 4
17343407 10.1021/np0603931 PC-12 4
28238613 10.1016/j.bmcl.2017.02.006 PC-12 4
22827516 10.1021/jm300681r Platelet 4
26189079 10.1016/j.bmcl.2015.06.090 PC-12 4

Data from ChEMBL 36 via Core Engine