Details of the Drug

General Information of Drug (ID: DMHEAGL)

• Drug Name: Epanova
• Synonyms: Omefas; Anti-hypertriglycemic (oral/capsule, hypertriglyceridemia/crohn's disease), Omthera

Indication

Disease Entry	ICD 11	Status	REF
Hypertriglyceridemia	5C80.1	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 909.4
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 40
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C60H92O6
  IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
  Canonical SMILES: CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O
  InChI: InChI=1S/C22H32O2.C20H30O2.C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-
  InChIKey: QPEOIOLHJXXJFN-GNGJDXFDSA-N
• Cross-matching ID:
  PubChem CID: 56842239
  TTD ID: D0G7WY
  INTEDE ID: DR1194
  ACDINA ID: D00488

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	DE492CE	PGH2_HUMAN	Substrate	[2]
Arachidonate 5-lipoxygenase (ALOX5)	DE87OZS	LOX5_HUMAN	Substrate	[3]
Cytochrome P450 147G1 (cyp147)	DEIPST6	B2HE89_MYCMM	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
26S proteasome non-ATPase regulatory subunit 11 (PSMD11)	OT8KO67V	PSD11_HUMAN	Gene/Protein Processing	[5]
Aryl hydrocarbon receptor (AHR)	OTFE4EYE	AHR_HUMAN	Gene/Protein Processing	[6]
Butyrophilin subfamily 3 member A1 (BTN3A1)	OTGZADIX	BT3A1_HUMAN	Gene/Protein Processing	[5]
Carboxypeptidase B2 (CPB2)	OTPIL8IE	CBPB2_HUMAN	Gene/Protein Processing	[5]
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Drug Response	[7]
Chromosome-associated kinesin KIF4A (KIF4A)	OT3UWL7D	KIF4A_HUMAN	Gene/Protein Processing	[5]
Diacylglycerol kinase epsilon (DGKE)	OTWS86AS	DGKE_HUMAN	Gene/Protein Processing	[5]
Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3)	OTPOL1QW	ALG3_HUMAN	Gene/Protein Processing	[5]
Dual specificity protein phosphatase 2 (DUSP2)	OTH54FMR	DUS2_HUMAN	Gene/Protein Processing	[5]
Excitatory amino acid transporter 4 (SLC1A6)	OTRSPH8U	EAA4_HUMAN	Gene/Protein Processing	[5]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Alpha-tocopherol	E00243	14985	Antimicrobial preservative; Antioxidant
Ethyl acrylate	E00191	8821	Film/membrane-forming agent; Flavoring agent
Isopropyl alcohol	E00070	3776	Antimicrobial preservative; Solvent
Butyl alcohol	E00011	263	Flavoring agent; Solvent
Carboxymethylcellulose sodium	E00621	Not Available	Adsorbent; Binding agent; Disintegrant; Emulsifying agent; Suspending agent; Viscosity-controlling agent
Eisenoxyd	E00585	56841934	Colorant
Glycerin	E00026	753	Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Hexahydric alcohol	E00083	5780	Diluent; Flavoring agent; Humectant; Plasticizing agent
Polysorbate 80	E00665	Not Available	Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Water	E00035	962	Solvent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Omega-3 carboxylic acid 1000 mg capsule	1000 mg	Oral Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Structural basis of fatty acid substrate binding to cyclooxygenase-2. J Biol Chem. 2010 Jul 16;285(29):22152-63.
• [3] Omega-3 fatty acids and inflammatory processes. Nutrients. 2010 Mar;2(3):355-74.
• [4] Selective Omega-1 oxidation of fatty acids by CYP147G1 from Mycobacterium marinum. Biochim Biophys Acta Gen Subj. 2019 Feb;1863(2):408-417.
• [5] Differential effects of omega-3 and omega-6 Fatty acids on gene expression in breast cancer cells. Breast Cancer Res Treat. 2007 Jan;101(1):7-16. doi: 10.1007/s10549-006-9269-x. Epub 2006 Jul 6.
• [6] Determinants of AhR-mediated transcriptional activity induced by plasma extracts from Nunavik Inuit adults. Chemosphere. 2010 Jun;80(2):75-82. doi: 10.1016/j.chemosphere.2010.04.017.
• [7] The effects of Omega-3 fatty acids on growth regulation of epithelial ovarian cancer cell lines. Gynecol Oncol. 2005 Oct;99(1):58-64. doi: 10.1016/j.ygyno.2005.05.024.