IDEBENONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06BX13
UNII: HB6PN45W4J

Structure
InChI Key JGPMMRGNQUBGND-UHFFFAOYSA-N
Smile COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
InChI
InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30O5
Molecular Weight 338.44
AlogP 3.46
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
None Antioxidant and mitochondrial electron carrier EMA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 27
Enzyme Transferase
- 1900 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 15400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Friedreich Ataxia 3 D005621 ClinicalTrials
Optic Atrophy, Hereditary, Leber 3 D029242 ClinicalTrials
MELAS Syndrome 2 D017241 ClinicalTrials
Huntington Disease 1 D006816 ClinicalTrials
Non-alcoholic Fatty Liver Disease 1 D065626 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 1 D020528 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 58186-27-9
ChEBI 31687
ChEMBL CHEMBL252556
DrugCentral 1416
EPA CompTox DTXSID0040678
FDA SRS HB6PN45W4J
PubChem 3686
SureChEMBL SCHEMBL28320
ZINC ZINC000001542890
CONTENTS