UBIDECARENONE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01EB09
UNII: EJ27X76M46

Structure
InChI Key ACTIUHUUMQJHFO-UPTCCGCDSA-N
Smile COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O
InChI
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

Physicochemical Descriptors

Property Name Value
Molecular Formula C59H90O4
Molecular Weight 863.36
AlogP 17.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 31.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 63.0

Pharmacology

Action Mechanism of Action Reference
None Supplement
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 14.16
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.66-4.15
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 118.6

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mitochondrial Diseases 3 D028361 ClinicalTrials
Multiple Organ Failure 3 D009102 ClinicalTrials
Huntington Disease 3 D006816 ClinicalTrials
Parkinson Disease 3 D010300 ClinicalTrials
Pre-Eclampsia 3 D011225 ClinicalTrials
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Fatigue Syndrome, Chronic 3 D015673 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Death, Sudden, Cardiac 2 D016757 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Sepsis 2 D018805 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Heart Arrest 2 D006323 ClinicalTrials
Heart Failure, Diastolic 2 D054144 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Supranuclear Palsy, Progressive 2 D013494 ClinicalTrials
Arthritis, Juvenile 2 D001171 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Cerebellar Ataxia 1 D002524 ClinicalTrials
Crohn Disease 1 D003424 ClinicalTrials
Carcinoma, Basal Cell 1 D002280 ClinicalTrials
Charcot-Marie-Tooth Disease 1 D002607 ClinicalTrials
Epidermolysis Bullosa 1 D004820 ClinicalTrials
Lichen Planus, Oral 1 D017676 ClinicalTrials
Sarcopenia 1 D055948 ClinicalTrials
Wounds and Injuries 1 D014947 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Cross References

Resources Reference
ChEBI 46245
ChEMBL CHEMBL454801
DrugBank DB09270
DrugCentral 4607
EPA CompTox DTXSID6046054
FDA SRS EJ27X76M46
Human Metabolome Database HMDB01072
KEGG C11378
PDB U10
PubChem 5281915
SureChEMBL SCHEMBL19858
ZINC ZINC000085427689
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