doconexent 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
4289 6217-54-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • docosahexaenoic acid
  • doconexent
  • cervonic acid
  • efalex
a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement
  • Molecular weight: 328.50
  • Formula: C22H32O2
  • CLOGP: 7.48
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -6.25
  • ROTB: 14

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 52
kinase-selectivity-class GRK2,MAP2K6,STK33,TEK 4
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Psoriatic arthropathy 113.66 32.51 146 11961 228189 90388151
Pneumonia aspiration 109.02 32.51 68 12039 40872 90575468
Hepatic necrosis 77.45 32.51 30 12077 6408 90609932
Rheumatic disorder 75.62 32.51 25 12082 3383 90612957
Coma 74.25 32.51 68 12039 72564 90543776
Blood immunoglobulin M increased 69.38 32.51 19 12088 1353 90614987
Type 2 diabetes mellitus 67.16 32.51 107 12000 203137 90413203
Blood immunoglobulin A decreased 64.74 32.51 19 12088 1737 90614603
Muscle injury 63.93 32.51 97 12010 176557 90439783
Liver injury 63.64 32.51 95 12012 170472 90445868
Pericarditis 63.00 32.51 122 11985 270029 90346311
Mobility decreased 61.87 32.51 116 11991 250618 90365722
Lower respiratory tract infection 59.42 32.51 114 11993 250545 90365795
Stomatitis 56.80 32.51 118 11989 274580 90341760
Muscle spasticity 56.80 32.51 43 12064 35279 90581061
Hepatic encephalopathy 55.62 32.51 30 12077 13742 90602598
Drug-induced liver injury 54.96 32.51 64 12043 90254 90526086
Blood immunoglobulin G increased 54.91 32.51 19 12088 2953 90613387
Urticaria 54.06 32.51 125 11982 312609 90303731
Fall 52.32 32.51 3 12104 481807 90134533
Hepatic enzyme abnormal 49.68 32.51 23 12084 7619 90608721
Nasopharyngitis 48.99 32.51 142 11965 406962 90209378
Incorrect route of product administration 47.11 32.51 45 12062 50581 90565759
Rheumatoid arthritis 47.05 32.51 130 11977 362484 90253856
Colitis microscopic 47.00 32.51 25 12082 11134 90605206
Gastrooesophageal reflux disease 46.13 32.51 81 12026 166256 90450084
Musculoskeletal pain 45.70 32.51 82 12025 171169 90445171
Night sweats 45.56 32.51 70 12037 128696 90487644
Sinusitis 45.50 32.51 124 11983 342964 90273376
Pemphigus 45.22 32.51 120 11987 326744 90289596
Cataract operation 44.64 32.51 20 12087 6143 90610197
C-reactive protein 43.52 32.51 35 12072 31332 90585008
Ear pain 42.16 32.51 45 12062 57657 90558683
Hernia 41.33 32.51 25 12082 14206 90602134
Lip dry 40.18 32.51 58 12049 100897 90515443
Skin reaction 39.98 32.51 27 12080 18526 90597814
Multiple allergies 39.90 32.51 25 12082 15121 90601219
Red blood cell sedimentation rate increased 39.72 32.51 52 12055 82543 90533797
Body temperature increased 38.33 32.51 38 12069 44672 90571668
Respiratory disorder 37.88 32.51 45 12062 64771 90551569
Helicobacter infection 36.25 32.51 88 12019 226762 90389578
Fibromyalgia 36.20 32.51 83 12024 206186 90410154
Anaemia 35.95 32.51 3 12104 352799 90263541
Joint swelling 35.49 32.51 147 11960 503153 90113187
Wound infection 35.07 32.51 56 12051 106346 90509994
Death 34.88 32.51 9 12098 456542 90159798
Lupus vulgaris 34.44 32.51 36 12071 45023 90571317
Multiple fractures 33.58 32.51 19 12088 9543 90606797
Osteoarthritis 33.51 32.51 78 12029 195652 90420688
Contraindicated product administered 33.15 32.51 106 12001 320033 90296307
Cough 32.93 32.51 5 12102 368957 90247383
Glaucoma 32.77 32.51 25 12082 20730 90595610

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Child abuse 197.83 83.00 32 1147 860 42619296
Epidural lipomatosis 188.44 83.00 34 1145 1766 42618390
Juvenile idiopathic arthritis 175.45 83.00 34 1145 2605 42617551
Respiratory depression 130.40 83.00 39 1140 18829 42601327
Product prescribing error 117.92 83.00 39 1140 26073 42594083
Drug dependence 113.78 83.00 39 1140 29055 42591101
Obesity 113.59 83.00 34 1145 16425 42603731
Victim of child abuse 108.41 83.00 20 1159 1169 42618987
Intentional product misuse 85.21 83.00 39 1140 61861 42558295

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Child abuse 155.71 36.09 32 11298 857 110577112
Epidural lipomatosis 138.94 36.09 34 11296 2033 110575936
Psoriatic arthropathy 112.88 36.09 119 11211 196642 110381327
Juvenile idiopathic arthritis 103.07 36.09 34 11296 5973 110571996
Obesity 102.09 36.09 88 11242 113263 110464706
Victim of child abuse 81.80 36.09 20 11310 1191 110576778
Rheumatic disorder 80.87 36.09 25 11305 3566 110574403
Hepatic necrosis 72.60 36.09 30 11300 9892 110568077
Blood immunoglobulin M increased 71.05 36.09 19 11311 1618 110576351
Rheumatoid arthritis 70.58 36.09 117 11213 299496 110278473
Lower respiratory tract infection 68.40 36.09 103 11227 243003 110334966
Muscle injury 68.24 36.09 78 11252 140729 110437240
Pemphigus 66.26 36.09 95 11235 214475 110363494
Blood immunoglobulin A decreased 65.09 36.09 19 11311 2229 110575740
Pericarditis 63.29 36.09 94 11236 219020 110358949
Incorrect route of product administration 62.28 36.09 52 11278 64009 110513960
Mobility decreased 61.73 36.09 97 11233 237325 110340644
Respiratory depression 60.91 36.09 39 11291 31962 110546007
Liver injury 60.85 36.09 76 11254 150337 110427632
Musculoskeletal pain 59.40 36.09 83 11247 182940 110395029
Nasopharyngitis 58.04 36.09 126 11204 394235 110183734
Contraindicated product administered 57.16 36.09 96 11234 248171 110329798
Blood immunoglobulin G increased 55.23 36.09 19 11311 3789 110574180
Lip dry 54.60 36.09 59 11271 100024 110477945
Type 2 diabetes mellitus 54.01 36.09 78 11252 177154 110400815
Helicobacter infection 53.91 36.09 79 11251 181798 110396171
Product use issue 53.35 36.09 106 11224 311589 110266380
Red blood cell sedimentation rate increased 53.30 36.09 52 11278 78250 110499719
Acute kidney injury 53.04 36.09 3 11327 635427 109942542
C-reactive protein 52.91 36.09 35 11295 30296 110547673
Systemic lupus erythematosus 52.86 36.09 94 11236 254244 110323725
Drug-induced liver injury 52.32 36.09 63 11267 120004 110457965
Muscle spasticity 52.13 36.09 37 11293 35878 110542091
Multiple allergies 51.05 36.09 25 11305 12238 110565731
Cataract operation 50.66 36.09 20 11310 5863 110572106
Hepatic enzyme abnormal 50.13 36.09 23 11307 9740 110568229
Night sweats 49.92 36.09 65 11265 133918 110444051
Fall 49.90 36.09 3 11327 603479 109974490
Osteoarthritis 49.38 36.09 76 11254 182547 110395422
Colitis microscopic 48.96 36.09 25 11305 13369 110564600
Arthropathy 48.26 36.09 97 11233 287425 110290544
Fibromyalgia 47.44 36.09 72 11258 170837 110407132
Pneumonia aspiration 46.27 36.09 49 11281 81184 110496785
Drug dependence 45.33 36.09 39 11291 49981 110527988
Product prescribing error 44.45 36.09 39 11291 51292 110526677
Nausea 44.44 36.09 37 11293 1235653 109342316
Death 44.11 36.09 9 11321 698860 109879109
Skin reaction 43.31 36.09 27 11303 21117 110556852
Ear pain 43.23 36.09 39 11291 53187 110524782
Hepatic encephalopathy 43.08 36.09 30 11300 28226 110549743
Nail disorder 42.30 36.09 40 11290 57895 110520074
Facet joint syndrome 40.86 36.09 50 11280 96778 110481191
Joint swelling 40.39 36.09 118 11212 442727 110135242
Lupus vulgaris 40.38 36.09 31 11299 33852 110544117
Hernia 40.19 36.09 25 11305 19475 110558494
Duodenal ulcer perforation 39.92 36.09 68 11262 177632 110400337
Multiple fractures 39.54 36.09 19 11311 8921 110569048
Hypotension 39.39 36.09 4 11326 523845 110054124
Hypoaesthesia 39.09 36.09 94 11236 314129 110263840
Wound infection 37.81 36.09 48 11282 96417 110481552
Hepatic cirrhosis 37.11 36.09 40 11290 67586 110510383
Glaucoma 36.90 36.09 25 11305 22492 110555477
Sciatica 36.25 36.09 46 11284 92353 110485616

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:77746 human metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Pregnancy, function indication 289908002
Breastfeeding (mother) indication 413712001
Prevention of Fetal Neural Tube Defects during Pregnancy off-label use




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.37 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Aromatase Enzyme IC50 4.48 CHEMBL
Retinoic acid receptor RXR-alpha Nuclear hormone receptor Ki 5.20 CHEMBL
Free fatty acid receptor 1 GPCR AGONIST EC50 6 IUPHAR
Oxoeicosanoid receptor 1 GPCR IC50 5.70 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 5.01 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 4.82 CHEMBL
Transient receptor potential cation channel subfamily A member 1 Ion channel ACTIVATOR EC50 4.40 IUPHAR

External reference:

IDSource
4020132 VUID
N0000148111 NUI
4020132 VANDF
C2348308 UMLSCUI
CHEBI:28125 CHEBI
CHEMBL367149 ChEMBL_ID
DB03756 DRUGBANK_ID
6428 INN_ID
ZAD9OKH9JC UNII
445580 PUBCHEM_CID
1006469 RXNORM
002051 NDDF
226368001 SNOMEDCT_US
F22 PDB_CHEM_ID
HXA PDB_CHEM_ID
1051 IUPHAR_LIGAND_ID
C532150 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
CitraNatal Harmony HUMAN PRESCRIPTION DRUG LABEL 8 0178-0798 CAPSULE, GELATIN COATED 260 mg ORAL UNAPPROVED DRUG OTHER 11 sections
CitraNatal Harmony HUMAN PRESCRIPTION DRUG LABEL 8 0178-0799 CAPSULE, GELATIN COATED 250 mg ORAL Unapproved drug other 11 sections
CitraNatal Harmony HUMAN PRESCRIPTION DRUG LABEL 8 0178-0812 CAPSULE, GELATIN COATED 250 mg ORAL Unapproved drug other 11 sections
VitafolUltra HUMAN PRESCRIPTION DRUG LABEL 17 0642-0093 CAPSULE, LIQUID FILLED 200 mg ORAL unapproved drug other 13 sections
Vitafol Fe Plus HUMAN PRESCRIPTION DRUG LABEL 17 0642-7473 CAPSULE, LIQUID FILLED 200 mg ORAL unapproved drug other 14 sections
TriStart DHA HUMAN PRESCRIPTION DRUG LABEL 15 15370-250 CAPSULE, LIQUID FILLED 200 mg ORAL UNAPPROVED DRUG OTHER 12 sections
BP Vit 3 HUMAN PRESCRIPTION DRUG LABEL 7 42192-301 CAPSULE, COATED 350 mg ORAL unapproved drug other 7 sections
PNV-DHA HUMAN PRESCRIPTION DRUG LABEL 10 42192-321 CAPSULE, GELATIN COATED 300 mg ORAL unapproved drug other 11 sections
PNV-DHA HUMAN PRESCRIPTION DRUG LABEL 8 42192-323 CAPSULE, GELATIN COATED 300 mg ORAL unapproved drug other 11 sections
PNV-Omega HUMAN PRESCRIPTION DRUG LABEL 13 42192-332 CAPSULE, GELATIN COATED 300 mg ORAL unapproved drug other 12 sections
Animi-3 with Vitamin D HUMAN PRESCRIPTION DRUG LABEL 8 66213-542 CAPSULE 250 mg ORAL unapproved drug other 14 sections
Animi-3 HUMAN PRESCRIPTION DRUG LABEL 8 66213-543 CAPSULE 250 mg ORAL unapproved drug other 14 sections
PRENATE Restore HUMAN PRESCRIPTION DRUG LABEL 12 75854-308 CAPSULE, GELATIN COATED 400 mg ORAL unapproved drug other 13 sections
PRENATE Enhance HUMAN PRESCRIPTION DRUG LABEL 12 75854-309 CAPSULE, GELATIN COATED 400 mg ORAL unapproved drug other 11 sections
PRENATE DHA HUMAN PRESCRIPTION DRUG LABEL 11 75854-312 CAPSULE, GELATIN COATED 300 mg ORAL unapproved drug other 12 sections
Prenate Essential HUMAN PRESCRIPTION DRUG LABEL 14 75854-313 CAPSULE, GELATIN COATED 300 mg ORAL unapproved drug other 13 sections
Prenate Mini HUMAN PRESCRIPTION DRUG LABEL 15 75854-315 CAPSULE, GELATIN COATED 350 mg ORAL unapproved drug other 12 sections
Prenate Pixie HUMAN PRESCRIPTION DRUG LABEL 12 75854-316 TABLET, FILM COATED 200 mg ORAL unapproved drug other 12 sections