doconexent Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	4289	6217-54-5

Description:

Molecule	Description
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

Molecule

Description

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

Approvals:

Date	Agency	Company	Orphan
None	FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Pneumonia aspiration	152.19	32.83	65	3491	31540	46650966
Coma	114.34	32.83	65	3491	58284	46624222
Gastrooesophageal reflux disease	104.74	32.83	67	3489	74277	46608229
Pleural thickening	72.59	32.83	20	3536	2575	46679931
Somnolence	71.73	32.83	73	3483	156448	46526058
Blood magnesium increased	69.55	32.83	20	3536	3007	46679499
Presbyacusis	66.42	32.83	19	3537	2803	46679703
Pleural fibrosis	66.29	32.83	20	3536	3549	46678957
Deafness neurosensory	61.75	32.83	20	3536	4474	46678032
Laryngitis	61.29	32.83	24	3532	9292	46673214
Epigastric discomfort	57.15	32.83	20	3536	5664	46676842
Muscle spasticity	53.22	32.83	23	3533	11417	46671089
Immunodeficiency	50.22	32.83	23	3533	13083	46669423
Respiratory disorder	46.98	32.83	28	3528	27272	46655234
Cyst	45.63	32.83	21	3535	12079	46670427
Joint swelling	41.74	32.83	57	3499	166016	46516490
Ear pain	41.54	32.83	24	3532	22068	46660438
Bone cyst	40.27	32.83	12	3544	2039	46680467
Osteopenia	38.90	32.83	21	3535	16940	46665566
Blood potassium increased	38.90	32.83	21	3535	16946	46665560
Body temperature increased	36.39	32.83	23	3533	24838	46657668
Night sweats	34.46	32.83	23	3533	27227	46655279
Osteosclerosis	33.92	32.83	12	3544	3504	46679002

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Coronary artery disease	38.72	31.02	17	393	49695	29902373

Pharmacologic Action:

Source	Code	Description
CHEBI has role	CHEBI:35610	cytostatic
CHEBI has role	CHEBI:50733	nutritional supplement
CHEBI has role	CHEBI:75771	mus musculus metabolite
CHEBI has role	CHEBI:77746	h. sapiens metabolites
CHEBI has role	CHEBI:83146	daphnia tenebrosa metabolites
CHEBI has role	CHEBI:84735	algal metabolites

Drug Use (View source of the data)

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

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.37	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source
Free fatty acid receptor 1	GPCR	O14842	FFAR1_HUMAN	AGONIST	EC50	6	IUPHAR
Aromatase	Enzyme	P11511	CP19A_HUMAN		IC50	4.48	CHEMBL
Oxoeicosanoid receptor 1	GPCR	Q8TDS5	OXER1_HUMAN		IC50	5.70	CHEMBL
Prostaglandin G/H synthase 2	Enzyme		PGH2_SHEEP		IC50	5.01	CHEMBL
Prostaglandin G/H synthase 1	Enzyme		PGH1_BOVIN		IC50	4.82	CHEMBL
Transient receptor potential cation channel subfamily A member 1	Unclassified		TRPA1_RAT	ACTIVATOR	EC50	4.40	IUPHAR

External reference:

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

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
CitraNatal Harmony 3.0	HUMAN PRESCRIPTION DRUG LABEL	8	0178-0796	CAPSULE, GELATIN COATED	260 mg	ORAL	unapproved drug other	10 sections
CitraNatal Harmony	HUMAN PRESCRIPTION DRUG LABEL	8	0178-0798	CAPSULE, GELATIN COATED	260 mg	ORAL	UNULLPPROVED 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
CitraNatal Medley	HUMAN PRESCRIPTION DRUG LABEL	8	0178-0896	CAPSULE, GELATIN COATED	200 mg	ORAL	unapproved drug other	10 sections
Vitafol Ultra	HUMAN PRESCRIPTION DRUG LABEL	17	0642-0093	CAPSULE, LIQUID FILLED	200 mg	ORAL	UNULLPPROVED DRUG OTHER	13 sections
Vitafol Fe Plus	HUMAN PRESCRIPTION DRUG LABEL	17	0642-7473	CAPSULE, LIQUID FILLED	200 mg	ORAL	UNULLPPROVED DRUG OTHER	14 sections
TriStart DHA	HUMAN PRESCRIPTION DRUG LABEL	15	15370-250	CAPSULE, LIQUID FILLED	200 mg	ORAL	UNULLPPROVED DRUG OTHER	12 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
Prenaissance	HUMAN PRESCRIPTION DRUG LABEL	9	42192-341	CAPSULE, LIQUID FILLED	325 mg	ORAL	UNULLPPROVED DRUG OTHER	10 sections
Prenaissance Plus	HUMAN PRESCRIPTION DRUG LABEL	8	42192-343	CAPSULE, LIQUID FILLED	250 mg	ORAL	UNULLPPROVED DRUG OTHER	10 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
TRICARE PRENULLTAL DHA ONE	HUMAN PRESCRIPTION DRUG LABEL	17	67112-401	CAPSULE, GELATIN COATED	215 mg	ORAL	unapproved drug other	12 sections
TRICARE PRENULLTAL DHA ONE	HUMAN PRESCRIPTION DRUG LABEL	17	67112-401	CAPSULE, GELATIN COATED	215 mg	ORAL	unapproved drug other	12 sections
TRICARE PRENULLTAL DHA ONE RXMULTIVITAMIN	HUMAN PRESCRIPTION DRUG LABEL	18	67112-402	CAPSULE, GELATIN COATED	215 mg	ORAL	unapproved drug other	11 sections
PRENULLTE Restore	HUMAN PRESCRIPTION DRUG LABEL	12	75854-308	CAPSULE, GELATIN COATED	400 mg	ORAL	unapproved drug other	13 sections
PRENULLTE Enhance	HUMAN PRESCRIPTION DRUG LABEL	12	75854-309	CAPSULE, GELATIN COATED	400 mg	ORAL	unapproved drug other	13 sections
PRENULLTE DHA	HUMAN PRESCRIPTION DRUG LABEL	10	75854-312	CAPSULE, GELATIN COATED	300 mg	ORAL	unapproved drug other	13 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