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

Structure

3D MOL

2D MOL

#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

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]
Butyrophilin subfamily 3 member A1 (BTN3A1)	OTGZADIX	BT3A1_HUMAN	Gene/Protein Processing	[5]
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]
Gap junction gamma-1 protein (GJC1)	OTFSGNSU	CXG1_HUMAN	Gene/Protein Processing	[5]
Glycine--tRNA ligase (GARS1)	OT5B6R9Y	GARS_HUMAN	Gene/Protein Processing	[5]
Heparan sulfate glucosamine 3-O-sulfotransferase 1 (HS3ST1)	OT5DVN9P	HS3S1_HUMAN	Gene/Protein Processing	[5]
Integrin beta-4 (ITGB4)	OT28UK84	ITB4_HUMAN	Gene/Protein Processing	[5]

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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


⏷ Show the Full List of 13 Pharmaceutical Excipients of This Drug

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.