Compound Detail
CHEMBL252556
IDEBENONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL252556 |
| Name | IDEBENONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JGPMMRGNQUBGND-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
14
Targets
21
Activities
3
Assay Types
2
PK Parameters
20
Publications
7
Known Names
8
Indications
1
Mechanisms
Molecular Properties
338.4
MW (Da)
3.46
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Antioxidant and mitochondrial electron carrier | - | - | ✓ | ✓ |
Indications
Attention Deficit Disorder with Hyperactivity Optic Atrophy, Hereditary, Leber Friedreich Ataxia Muscular Dystrophy, Duchenne MELAS Syndrome Huntington Disease Multiple Sclerosis, Chronic Progressive Non-alcoholic Fatty Liver Disease
ATC Classification
N06BX13
idebenone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 15 meas. best 6.1
EC50 5 meas. best 6.26
Ki 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.26 | 6.165 | 551.0 | 2 |
| Fibroblast CHEMBL613838 | EC50 | 6.23 | 6.23 | 592.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.14 | 6.085 | 730.0 | 2 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| NAD-dependent protein deacetylase CHEMBL4523517 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 4.6825 | 5800.0 | 4 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| Brain CHEMBL613617 | IC50 | 4.5 | 4.5 | 31500.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.19 | 4.19 | 64500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | -12.0 | hr | - |
| T1/2 | -12.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine