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 Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 119

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pre-Eclampsia 3 D011225 ClinicalTrials
Huntington Disease 3 D006816 ClinicalTrials
Fatigue Syndrome, Chronic 3 D015673 ClinicalTrials
Multiple Organ Failure 3 D009102 ClinicalTrials
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Mitochondrial Diseases 3 D028361 ClinicalTrials
Parkinson Disease 3 D010300 ClinicalTrials
Supranuclear Palsy, Progressive 2 D013494 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Death, Sudden, Cardiac 2 D016757 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Sepsis 2 D018805 ClinicalTrials
Heart Failure, Diastolic 2 D054144 ClinicalTrials
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Heart Arrest 2 D006323 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Cerebellar Ataxia 1 D002524 ClinicalTrials
Carcinoma, Basal Cell 1 D002280 ClinicalTrials
Charcot-Marie-Tooth Disease 1 D002607 ClinicalTrials
Epidermolysis Bullosa 1 D004820 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Wounds and Injuries 0 D014947 ClinicalTrials

Cross References

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