Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H32O2 |
Molecular Weight | 328.4883 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 6 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
InChI
InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/28314621Curator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28314621
Curator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Doconexent (Docosahexaenoic acid, DHA) is an omega-3 fatty acid that is a primary structural component of the human brain, cerebral cortex, skin, and retina. DHA is widely used as a food supplement, and is beleived to support healthy brain development in young childred, prevent cardiovascular disease and cognitive decline during Alzheimer's disease. Most of these claims, however, were not supported by clinical trials. DHA spray is used as a tanner.
CNS Activity
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL2095229 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1371883 |
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Target ID: map04064 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26359712 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | Unknown Approved UseUnknown |
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Preventing | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Palliative | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
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Differential distribution and metabolism of arachidonic acid and docosahexaenoic acid by human placental choriocarcinoma (BeWo) cells. | 1998 Aug |
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Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40. | 2003 Mar 13 |
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Rainbow trout (Oncorhynchus mykiss) brain cells biosynthesize novel docosahexaenoic acid-derived resolvins and protectins-Mediator lipidomic analysis. | 2005 Dec |
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Mechanism of docosahexaenoic acid-induced inhibition of in vitro Abeta1-42 fibrillation and Abeta1-42-induced toxicity in SH-S5Y5 cells. | 2009 Oct |
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Bioequivalence Demonstration for Ω-3 Acid Ethyl Ester Formulations: Rationale for Modification of Current Guidance. | 2017 Mar |
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Uptake and tissue accretion of orally administered free carboxylic acid as compared to ethyl ester form of docosahexaenoic acid (DHA) in the rat. | 2018 |
Patents
Sample Use Guides
Doconexent is administered with food or as an oral supplement, or topically with food.
Route of Administration:
Other
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1371883
DHA reduces calcium uptake in rat cardiac myocytes exposed to oubain (0.1 mM) after incubation for 4 days with 5 uM DHA added to medium. Calcium uptake was measured after addition of tracer 45Ca2+ to the 1.0 mM calcium in the bathing medium.
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Classification Tree | Code System | Code | ||
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LIVERTOX |
319
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NCI_THESAURUS |
C493
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75095-0
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90914-3
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FDA ORPHAN DRUG |
432814
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FDA ORPHAN DRUG |
141701
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90908-5
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88999-8
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88998-0
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35174-2
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FDA ORPHAN DRUG |
456414
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DSLD |
1010 (Number of products:2932)
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NCI_THESAURUS |
C68345
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FDA ORPHAN DRUG |
454314
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FDA ORPHAN DRUG |
450214
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LOINC |
90911-9
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DSLD |
4096 (Number of products:5)
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LOINC |
88995-6
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DTXSID5040465
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732
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25167-62-8
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1006469
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m4713
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25377-50-8
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2091-24-9
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DB03756
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DOCOSAHEXAENOIC ACID
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28125
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144450
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6428
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731
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6217-54-5
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SUB121918
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4289
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445580
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CHEMBL367149
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C68346
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1224609
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
SALT/SOLVATE (PARENT)