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Doconexent

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Also known as 22:6 n-3C22:6 (n-3)Cervonic acidDoconexentoDocosaheaenoic-acidDocosahexaenoateDocosahexaenoic acidDocosahexaenoic acid (c22:6 n3)Docosahexanoic acidDHASID26754926SID26754927SID26754928SID50110834SID144205545

Summary

Doconexent (CHEMBL367149) is an approved small-molecule antineoplastic agent targeting FFAR1, TRPA1, and KCNK10; indicated across 39 conditions including heart failure and attention deficit-hyperactivity disorder.

At a glance

  • Status: Approved (max clinical phase 4)
  • Modality: Small molecule
  • Targets: 4 (FFAR1, TRPA1, KCNK10…)
  • Indications: 39 conditions
  • Clinical trials: 89
  • Chemistry: 328.5 Da · C22H32O2

Identifiers

Drug identity and classification

FieldValue
ChEMBL IDCHEMBL367149
NameDoconexent
TypeSmall molecule
Max phase3
FDA approvedyes
PubChem CID445580
ChEBICHEBI:28125
Molecular formulaC22H32O2
Molecular weight328.5
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-N

SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O

IUPAC name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

ChEBI definition: A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19.

Pharmacological roles (ChEBI): nutraceutical, antineoplastic agent.

Other ChEBI roles (chemical / environmental): human metabolite, Daphnia tenebrosa metabolite, mouse metabolite, algal metabolite.

Also known as: 22:6 n-3, C22:6 (n-3), Cervonic acid, Doconexent, Doconexento, Docosaheaenoic-acid, Docosahexaenoate, Docosahexaenoic acid, Docosahexaenoic acid (c22:6 n3), Docosahexanoic acid, docosahexaenoic acid, DHA

Patent coverage: 21,887 distinct patent families (63,817 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

GeneTargetActionpAffinityCancer dependencyUniProt
FFAR1FFA1 receptorFull agonist60.4%O14842
TRPA1TRPA1Activation4.40.1%O75762
KCNK10K2P10.10%P57789
RXRARetinoid X receptor-αAgonist5.1%P19793

Broader ChEMBL bioactivity targets: 11 (assay-derived). Sample: Microtubule-associated protein tau, Inositol monophosphatase 1, 4’-phosphopantetheinyl transferase ffp, Oxoeicosanoid receptor 1, Aromatase, Retinoic acid receptor RXR-alpha, RXR alpha/PPAR gamma, Prostaglandin G/H synthase 1, Aldehyde dehydrogenase 1A1, Prostaglandin G/H synthase 2.

Bioactivity

ChEMBL activities: 4 potent at pChembl ≥ 5 of 17 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

TargetpChemblTypeValueUnitActivity ID
OXER15.7IC502000nMCHEMBL_ACT_13916572
RXRA5.32IC504822nMCHEMBL_ACT_25091477
RXRA5.2Ki6292nMCHEMBL_ACT_19307689
P792085.01IC509800nMCHEMBL_ACT_2193522

Target pathways

Aggregated over 4 target gene(s): FFAR1, TRPA1, KCNK10, RXRA.

Top Reactome pathways

79 total, by targets touching each:

PathwayTargetsGenes
Neuronal System1KCNK10
Developmental Biology1RXRA
Potassium Channels1KCNK10
Tandem pore domain potassium channels1KCNK10
TWIK related potassium channel (TREK)1KCNK10
R-HSA-13680821RXRA
BMAL1:CLOCK,NPAS2 activates circadian expression1RXRA
Metabolism1RXRA
Mitochondrial biogenesis1RXRA
Recycling of bile acids and salts1RXRA
Signal Transduction1RXRA
Regulation of cholesterol biosynthesis by SREBP (SREBF)1RXRA
Organelle biogenesis and maintenance1RXRA
Synthesis of bile acids and bile salts1RXRA
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol1RXRA
Synthesis of bile acids and bile salts via 27-hydroxycholesterol1RXRA
Bile acid and bile salt metabolism1RXRA
PPARA activates gene expression1RXRA
Carnitine shuttle1RXRA
Biological oxidations1RXRA
Cytochrome P450 - arranged by substrate type1RXRA
Phase I - Functionalization of compounds1RXRA
Endogenous sterols1RXRA
Epigenetic regulation of gene expression1RXRA
Generic Transcription Pathway1RXRA
Transcriptional activation of mitochondrial biogenesis1RXRA
Cellular responses to stress1RXRA
Activation of gene expression by SREBF (SREBP)1RXRA
SUMOylation1RXRA
SUMO E3 ligases SUMOylate target proteins1RXRA

Dominant GO biological processes

GO termTargets
signal transduction2
monoatomic ion transport2
monoatomic ion transmembrane transport2
G protein-coupled receptor signaling pathway1
phospholipase C-activating G protein-coupled receptor signaling pathway1
positive regulation of cytosolic calcium ion concentration1
insulin secretion1
positive regulation of insulin secretion1
negative regulation of interleukin-1 beta production1
glucose homeostasis1
positive regulation of calcium ion transport1
response to fatty acid1
ligand-gated ion channel signaling pathway1
intracellular calcium ion homeostasis1
cell surface receptor signaling pathway1

Indications & clinical

Indications

39 indications (0 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

IndicationTrial phaseMONDOEFO
heart failure3MONDO:0005252EFO:0003144
attention deficit-hyperactivity disorder3MONDO:0007743EFO:0003888
major depressive disorder3MONDO:0002009MONDO:0002009
depressive disorder3MONDO:0002050MONDO:0002050
Alzheimer disease3MONDO:0004975MONDO:0004975
retinitis pigmentosa3MONDO:0019200MONDO:0019200
psychotic disorder3MONDO:0005485EFO:0005407
bipolar disorder3MONDO:0004985MONDO:0004985
cardiovascular disorder2MONDO:0004995EFO:0000319
colorectal adenoma2MONDO:0005484EFO:0005406
retinopathy of prematurity2MONDO:0006952EFO:1001158
breast lobular carcinoma2MONDO:0000552EFO:0008509
ductal breast carcinoma in situ2MONDO:0005023EFO:0000432
breast neoplasm2MONDO:0021100MONDO:0007254
asthma2MONDO:0004979MONDO:0004979
type 1 diabetes mellitus2MONDO:0005147MONDO:0005147
cystic fibrosis2MONDO:0009061MONDO:0009061
sickle cell disease2MONDO:0011382MONDO:0011382
prostate adenocarcinoma2MONDO:0005082EFO:0000673
autism spectrum disorder2MONDO:0005258EFO:0003756
chronic hepatitis C virus infection2MONDO:0005354EFO:0004220
male breast carcinoma2MONDO:0005628EFO:0006861
mammary Paget disease2MONDO:0002648MONDO:0002648
heart disorder1MONDO:0005267EFO:0003777
necrotizing enterocolitis1MONDO:0005313EFO:0003928
macular degeneration1MONDO:0003004EFO:0009606
amblyopia1MONDO:0001020MONDO:0001020
Parkinson disease1MONDO:0005180MONDO:0005180
severe acute respiratory syndrome1MONDO:0005091MONDO:0100096
leukemia1MONDO:0005059EFO:0000565
plasma cell myeloma1MONDO:0009693EFO:0001378
eating disorder1MONDO:0005451EFO:0005203

7 further indication records had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 89.

Phase distribution

PhaseTrials
Not specified53
PHASE314
PHASE27
PHASE46
PHASE2/PHASE33
EARLY_PHASE13
PHASE12
PHASE1/PHASE21

Top trials by phase / activity

NCTPhaseStatusTitle
NCT06068530PHASE4RECRUITINGMass Vaccine and Drug Administration, Bangladesh
NCT00449917PHASE4COMPLETEDVisiobiane Anti-age Effects on Vision Parameters
NCT00634686PHASE4UNKNOWNEffects of Omega-3 Fatty Acids on Bone and Frailty
NCT01576783PHASE4COMPLETEDOmega Tots: A Randomized, Controlled Trial of Long-chain Polyunsaturated Fatty Acid Supplementation of Toddler Diets and Developmental Outcomes
NCT03781557PHASE4UNKNOWNEffects of Omega-3 Fatty Acids Supplement in Cognition of Young Healthy Adults and in Their Reaction Time of Computerized Test After 3 Months of Taking High-concentrated DHA and EPA Fish Softgels
NCT03915535PHASE4TERMINATEDImpact of Fish Oil Monoglycerides on the Modulation of Mitochondrial Functions and Lactate Threshold
NCT03965988PHASE3RECRUITINGDocosahexaenoic Acid on Breath Holding Spells in Children
NCT00000116PHASE3COMPLETEDRandomized Trial of DHA for Retinitis Pigmentosa Patients Receiving Vitamin A
NCT00266825PHASE3COMPLETEDDHA Supplementation and Pregnancy Outcome
NCT00345176PHASE3COMPLETEDAge-Related Eye Disease Study 2 (AREDS2)
NCT00351624PHASE3COMPLETEDEffects of Docosahexaenoic Acid (DHA) on Cognitive Function in Children 4 Years of Age
NCT00361374PHASE3COMPLETEDSafety and Effectiveness of Omega 3-Fatty Acids, EPA Versus DHA, for the Treatment of Major Depression
NCT00517036PHASE3COMPLETEDOmega-3 Fatty Acids for Treating Adults With Major Depression
NCT00662142PHASE3COMPLETEDEffect of 8-Week Dietary DHA Supplementation on Cerebral Blood Flow and Metabolic Function
NCT01007110PHASE3COMPLETEDEffects of Docosahexaenoic Acid (DHA) on Fetal Cardiac Outcomes
NCT01422317PHASE3COMPLETEDEffects of High-dose n-3 Fatty Acids on Clinical Outcome and Serum Lipids - Omacor Following Acute Myocardial Infarction
NCT01796262PHASE3COMPLETEDThe Effects of DHA on Attention Deficit and Hyperactivity Disorder
NCT01846325PHASE2/PHASE3COMPLETEDThe Effects of Administration of Combined Docosahexaenoic Acid and Vitamin E Supplements on Spermatogram and Seminal Plasma Oxidative Stress in Infertile Men With Asthenozoospermia
NCT01883817PHASE3COMPLETEDEffect of Omega-3 Fatty Acid on Cortical Function in ADHD
NCT01940640PHASE2/PHASE3COMPLETEDEffect of Mother DHA Supplementation on Premature Newborn.
NCT02057406PHASE3COMPLETEDOmega 3 for Treatment of Depression in Patients With Heart Failure
NCT02487771PHASE3COMPLETEDKansas University DHA Outcome Study (KUDOS) Follow-Up
NCT02541929PHASE2/PHASE3COMPLETEDFish Oil Brain Delivery Study
NCT01049529PHASE2COMPLETEDEffect of Docosahexaenoic Acid on the Inflammatory Response and Clinical Outcomes From Surgical Patients
NCT01661764PHASE2COMPLETEDFish Oil Supplementation, Nutrigenomics and Colorectal Cancer Prevention
NCT01849250PHASE2COMPLETEDStudy of Docosahexaenoic Acid (DHA) in Triple Negative Breast Cancer Survivors
NCT01976806PHASE2COMPLETEDThe Effects of DHA on Periodontitis
NCT02690857PHASE2COMPLETEDStudy of Docosahexanoic Acid in Patients With Cystic Fibrosis (CF)
NCT02973360PHASE2UNKNOWNDose-Finding Study of SC411 in Children With Sickle Cell Disease
NCT03402789PHASE1/PHASE2WITHDRAWNDocosahexaenoic Acid (DHA) Supplementation in Amblyopia
NCT03613844PHASE2COMPLETEDDHA Brain Delivery Trial
NCT00988585PHASE1COMPLETEDEvaluation of the Safety and Biologic Effects of an Eicosapentaenoic (EPA)-Enriched Oil
NCT01670773PHASE1COMPLETEDA Study of CAT-1004 Biomarkers in Healthy Subjects
NCT06494488EARLY_PHASE1RECRUITINGDifferential Thrombogenesis by EPA and DHA Mediated by HDL
NCT07012486EARLY_PHASE1RECRUITINGEfficacy of Dihydroartemisinin for Treating Female Androgenetic Alopecia
NCT02517502EARLY_PHASE1COMPLETEDDocosahexaenoic Acid (DHA) To Prevent Development of Cognitive Dysfunction Due to Chemotherapy
NCT01260961Not specifiedACTIVE_NOT_RECRUITINGDeveloping Treatment, Treatment Validation and Treatment Scope in the Setting of an Autism Clinical Trial
NCT02647723Not specifiedACTIVE_NOT_RECRUITINGImproving Maternal and Child Health Through Prenatal Fatty Acid Supplementation
NCT05038462Not specifiedRECRUITINGFetal Brain Care: Therapies for Brain Neurodevelopment in Fetal Growth Restriction
NCT05191823Not specifiedENROLLING_BY_INVITATIONOmega Tots Long Term Follow-up

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

51 molecules share ≥1 primary target. Top 51 by shared-target count:

MoleculeSourceStatusShared targets
ROSIGLITAZONEChEMBLPhase 4 (approved)FFAR1, RXRA
CARVEDILOLChEMBL + PubChemPhase 4 (approved)KCNK10
DICLOFENACChEMBL + PubChemPhase 4 (approved)TRPA1
DISULFIRAMChEMBL + PubChemPhase 4 (approved)TRPA1
MEFENAMIC ACIDChEMBL + PubChemPhase 4 (approved)TRPA1
SULINDACChEMBL + PubChemPhase 4 (approved)RXRA
ALITRETINOINChEMBLPhase 4 (approved)RXRA
BEXAROTENEChEMBLPhase 4 (approved)RXRA
CALCITRIOLChEMBLPhase 4 (approved)RXRA
DOMPERIDONEChEMBLPhase 4 (approved)RXRA
FLUVASTATINChEMBLPhase 4 (approved)RXRA
LEVOTHYROXINEChEMBLPhase 4 (approved)RXRA
MECLOFENAMIC ACIDChEMBLPhase 4 (approved)RXRA
MENTHOLChEMBLPhase 4 (approved)TRPA1
NICOTINEChEMBLPhase 4 (approved)TRPA1
OXAPROZINChEMBLPhase 4 (approved)RXRA
PIOGLITAZONEChEMBLPhase 4 (approved)RXRA
PITAVASTATINChEMBLPhase 4 (approved)RXRA
TRETINOINChEMBLPhase 4 (approved)RXRA
RESVERATROLChEMBL + PubChemPhase 3 (approved)TRPA1
CANNABINOLChEMBLPhase 3TRPA1
FASIGLIFAMChEMBLPhase 3FFAR1
GAMOLENIC ACIDChEMBLPhase 3FFAR1
ICILLINChEMBLPhase 3TRPA1
ICOSAPENTChEMBLPhase 3RXRA
LEVOMENTHOLChEMBLPhase 3TRPA1
TIRATRICOLChEMBLPhase 3RXRA
ALLICINChEMBLPhase 2TRPA1
CANNABIDIVARINChEMBLPhase 2TRPA1
CANNABIGEROLChEMBLPhase 2TRPA1
CARVACROLChEMBLPhase 2TRPA1
CHLORDANTOINChEMBLPhase 2TRPA1
FENBUFENChEMBLPhase 2FFAR1
FLUFENAMIC ACIDChEMBLPhase 2TRPA1
IRX-4204ChEMBLPhase 2RXRA
LINOLEIC ACIDChEMBLPhase 2FFAR1
PIRINIXIC ACIDChEMBLPhase 2RXRA
RG6341ChEMBLPhase 2TRPA1
SALIRASIBChEMBLPhase 2TRPA1
SANGUINARIUMChEMBLPhase 2TRPA1
TETRAHYDROCANNABIVARINChEMBLPhase 2TRPA1
THYMOLChEMBLPhase 2TRPA1
AcetaldehydePubChemApprovedTRPA1
Berberine ChloridePubChemApprovedRXRA
CaffeinePubChemApprovedTRPA1
camphor (synthetic)PubChemApprovedTRPA1
dronabinolPubChemApprovedTRPA1
EugenolPubChemApprovedTRPA1
EzetimibePubChemApprovedRXRA
menthol, unspecified formPubChemApprovedTRPA1
Propylene GlycolPubChemApprovedTRPA1

About this page

Generated deterministically by Sugi Atlas from primary biomedical databases via BioBTree. Every record on this page traces to a primary source.

Generated
Atlas version
v1.1.2
BioBTree
v2.0.2

Sources 30

This page pulls from 30 datasets indexed by BioBTree:

chebichembl_activitychembl_moleculechembl_targetcivic_evidenceclingen_dosageclinical_trialsdepmapefoensemblentrezgogoparentgtopdbgtopdb_interactiongtopdb_ligandhgncmeshmondomsigdbpatent_compoundpharmgkbpharmgkb_guidelinepubchempubchem_activityreactomereactomeparentrefseqtranscriptuniprot