Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5050)
Drug Name
Icosapent
Synonyms .
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Thrombin deficiency [ICD11: ICD11: 3B14] Approved [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 302.5 Topological Polar Surface Area 37.3
Heavy Atom Count 22 Rotatable Bond Count 13
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
446284
ChEBI ID
CHEBI:28364
CAS Number
10417-94-4
TTD Drug ID
D0G2MW
Formula
C20H30O2
Canonical SMILES
CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
JAZBEHYOTPTENJ-JLNKQSITSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
11-HEPE DM015938
16061130
Unclear - Unclear 1 [4]
12-HEPE DM015605
10041593
Unclear - Unclear 1 [4]
15-HEPE DM015939
16061131
Unclear - Unclear 1 [4]
17(18)-EpETE DM015937
16061089
Unclear - Unclear 1 [4]
18-HEPE DM015940
16061132
Unclear - Unclear 1 [4]
5-HEPE DM015498
6439678
Unclear - Unclear 1 [4]
8-HEPE DM015434
5283186
Unclear - Unclear 1 [4]
Hydroxyeicosapentaenoic acid (HEPE) DM016573
129653622
Unclear - Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008006 Icosapent 5-HEPE Unclear - Unclear Unclear [4]
MR008007 Icosapent Hydroxyeicosapentaenoic acid (HEPE) Unclear - Unclear LOX [4]
MR008008 Icosapent 8-HEPE Unclear - Unclear Unclear [4]
MR008009 Icosapent 11-HEPE Unclear - Unclear Unclear [4]
MR008010 Icosapent 12-HEPE Unclear - Unclear Unclear [4]
MR008011 Icosapent 15-HEPE Unclear - Unclear Unclear [4]
MR008012 Icosapent 18-HEPE Unclear - Unclear Unclear [4]
MR008013 Icosapent 17(18)-EpETE Unclear - Unclear Unclear [4]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arachidonate 5-lipoxygenase (ALOX5) DME0201 Homo sapiens
LOX5_HUMAN
1.13.11.34
[3]
lipoxygenase (LOX) DMEN742 Homo sapiens Not Available Not Available [4]
Prostaglandin G/H synthase 2 (COX-2) DME0114 Homo sapiens
PGH2_HUMAN
1.14.99.1
[3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7441).
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Effect of arachidonic and eicosapentaenoic acid metabolism on RAW 264.7 macrophage proliferation
4 #NAME?

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