Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMN0EMP)

• Drug Name: EPICATECHIN Drug Info
• Synonyms: (-)-Epicatechin; Epicatechin; 490-46-0; L-Epicatechin; (-)-Epicatechol; l-Acacatechin; (2R,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol; Epicatechol; l-Epicatechol; (-)epicatechin; (2R,3R)-(-)-Epicatechin; UNII-34PHS7TU43; epi-Catechin; epi-Catechol; CCRIS 7097; EINECS 207-710-1; NSC 81161; Epicatechol, (-)-; CHEBI:90; 34PHS7TU43; PFTAWBLQPZVEMU-UKRRQHHQSA-N; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; AK105372; C15H14O6

Indication

Disease Entry	ICD 11	Status	REF
Duchenne dystrophy	8C70	Phase 1/2	[1]
Friedreich's ataxia	8A03.10	Phase 1/2	[1]

• Cross-matching ID:
  PubChem CID: 72276
  ChEBI ID: CHEBI:90
  CAS Number: CAS 17334-50-8
  TTD Drug ID: DMN0EMP
  VARIDT Drug ID: DR01463

Molecule-Related Drug Atlas

Drug(s) Targeting Oxidoreductase unspecific (OR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Olsalazine	DMZW9HA	Ulcerative colitis	DD71	Approved	[4]

Drug(s) Targeting Prostaglandin G/H synthase 1 (COX-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[5]
Naproxen	DMZ5RGV	Bursitis		Approved	[6]
Mesalazine	DMOL5IU	Diverticulitis		Approved	[7]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[8]
Bromfenac	DMKB79O	Pain	MG30-MG3Z	Approved	[9]
Aminosalicylic Acid	DMENSL5	Crohn disease	DD70	Approved	[10]
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[11]
Piroxicam	DMTK234	Osteoarthritis	FA00-FA05	Approved	[10]
Suprofen	DMKXJZ7	Miosis	LA11.62	Approved	[12]
Gamma-Homolinolenic acid	DMSXKYG	Malnutrition	5B50-5B71	Approved	[13]

Drug(s) Targeting Mitochondrial protein unspecific (MP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Mitoglitazone	DMIRPSA	Alzheimer disease	8A20	Phase 2	[1]

Drug(s) Transported By Multidrug resistance-associated protein 2 (ABCC2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[14]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[15]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[16]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[17]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[18]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[19]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[20]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[21]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[22]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[23]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mitochondrial protein unspecific (MP)	TTSJH2W	NOUNIPROTAC	Modulator	[1]
Oxidoreductase unspecific (OR)	TTPZ7AG	NOUNIPROTAC	Modulator	[1]
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[3]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] Mechanism-based inactivation of COX-1 by red wine m-hydroquinones: a structure-activity relationship study. J Nat Prod. 2004 Nov;67(11):1777-82.
• [3] Transport and metabolism of the tea flavonoid (-)-epicatechin by the human intestinal cell line Caco-2. Pharm Res. 2001 Oct;18(10):1420-5.
• [4] Reaction mechanism of azoreductases suggests convergent evolution with quinone oxidoreductases. Protein Cell. 2010 Aug;1(8):780-90.
• [5] The C50T polymorphism of the cyclooxygenase-1 gene and the risk of thrombotic events during low-dose therapy with acetyl salicylic acid. Thromb Haemost. 2008 Jul;100(1):70-5.
• [6] Comparative inhibitory activity of rofecoxib, meloxicam, diclofenac, ibuprofen, and naproxen on COX-2 versus COX-1 in healthy volunteers. J Clin Pharmacol. 2000 Oct;40(10):1109-20.
• [7] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [8] Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun;64(6):745-9.
• [9] Comparison of cyclooxygenase inhibitory activity and ocular anti-inflammatory effects of ketorolac tromethamine and bromfenac sodium. Curr Med Res Opin. 2006 Jun;22(6):1133-40.
• [10] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [11] Ouellet M, Percival MD: Effect of inhibitor time-dependency on selectivity towards cyclooxygenase isoforms. Biochem J. 1995 Feb 15;306 ( Pt 1):247-51.
• [12] Differential binding mode of diverse cyclooxygenase inhibitors. J Mol Graph Model. 2002 Mar;20(5):359-71.
• [13] Differential metabolism of dihomo-gamma-linolenic acid and arachidonic acid by cyclo-oxygenase-1 and cyclo-oxygenase-2: implications for cellular synthesis of prostaglandin E1 and prostaglandin E2. Biochem J. 2002 Jul 15;365(Pt 2):489-96.
• [14] Involvement of the drug transporters p glycoprotein and multidrug resistance-associated protein Mrp2 in telithromycin transport. Antimicrob Agents Chemother. 2006 Jan;50(1):80-7.
• [15] Dose-dependent disposition of methotrexate in Abcc2 and Abcc3 gene knockout murine models. Drug Metab Dispos. 2011 Nov;39(11):2155-61.
• [16] Mammalian multidrug-resistance proteins (MRPs). Essays Biochem. 2011 Sep 7;50(1):179-207.
• [17] Enhancing chemosensitivity in oral squamous cell carcinoma by lentivirus vector-mediated RNA interference targeting EGFR and MRP2. Oncol Lett. 2016 Sep;12(3):2107-2114.
• [18] Multidrug resistance associated protein 2 mediates transport of prostaglandin E2. Liver Int. 2006 Apr;26(3):362-8.
• [19] Lentivirus-mediated RNAi silencing targeting ABCC2 increasing the sensitivity of a human nasopharyngeal carcinoma cell line against cisplatin. J Transl Med. 2008 Oct 4;6:55.
• [20] Effect of acetaminophen on expression and activity of rat liver multidrug resistance-associated protein 2 and P-glycoprotein. Biochem Pharmacol. 2004 Aug 15;68(4):791-8.
• [21] Small intestinal efflux mediated by MRP2 and BCRP shifts sulfasalazine intestinal permeability from high to low, enabling its colonic targeting. Am J Physiol Gastrointest Liver Physiol. 2009 Aug;297(2):G371-7.
• [22] Delineating the contribution of secretory transporters in the efflux of etoposide using Madin-Darby canine kidney (MDCK) cells overexpressing P-glycoprotein (Pgp), multidrug resistance-associated protein (MRP1), and canalicular multispecific organic anion transporter (cMOAT). Drug Metab Dispos. 2002 Apr;30(4):457-63.
• [23] Multidrug Resistance-Associated Protein 2 (MRP2) Mediated Transport of Oxaliplatin-Derived Platinum in Membrane Vesicles. PLoS One. 2015 Jul 1;10(7):e0130727.