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

General Information of Drug (ID: DM7BN0X)

• Drug Name: Esomeprazole Drug Info
• Synonyms: Esomeprazolum; Nexiam; Inexium paranova; Axagon (TN); Esomeprazole (INN); Esomeprazole [INN:BAN]; Esopral (TN); Inexium paranova (TN); Lucen (TN); Nexiam (TN); Nexium (TN); Sompraz (TN); Zoleri (TN); (S)-(-)-Omeprazole; (S)-Omeprazole; 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole; 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole; 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1-methyl-1H-benzimidazole

Indication

Disease Entry	ICD 11	Status	REF
Cystic fibrosis	CA25	Approved	[1]
Gastrinoma	2C10.1	Approved	[1]
Laryngeal disorder		Approved	[1]
Nausea	MD90	Approved	[1]
Peptic esophagitis		Approved	[1]
Peptic ulcer	DA61	Approved	[2]

• Therapeutic Class: Antiulcer Agents
• Cross-matching ID:
  PubChem CID: 9568614
  ChEBI ID: CHEBI:50275
  CAS Number: CAS 119141-88-7
  TTD Drug ID: DM7BN0X
  INTEDE Drug ID: DR0627
  ACDINA Drug ID: D00244

Molecule-Related Drug Atlas

Drug(s) Targeting Gastric H(+)/K(+) ATPase (Proton pump)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[3]
Pantoprazole	DMSVOCZ	Gastrinoma	2C10.1	Approved	[3]
Dexlansoprazole	DM1DBV5	Erosive esophagitis	DA25.0	Approved	[3]
Vonoprazan	DMO6315	Helicobacter infection	DA42-DA63	Approved	[6]
RQ-00000004	DM9T8OF	Gastroesophageal reflux disease	DA22.Z	Phase 3	[7]
YH-4808	DMCHFB0	Duodenal ulcer	DA63	Phase 2	[8]
S-tenatoprazole	DMJ1DIB	Peptic ulcer	DA61	Phase 2	[9]
AZD-0865	DMM0N1F	Gastrointestinal disease	DE2Z	Phase 2	[10]
LEMINOPRAZOLE	DMBKNJT	Ulcerative colitis	DD71	Discontinued in Preregistration	[11]
SKF-96067	DMXW1Y3	Peptic ulcer	DA61	Discontinued in Phase 3	[12]

Drug(s) Metabolized By Mephenytoin 4-hydroxylase (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[13]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[14]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[15]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[16]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[17]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[18]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[19]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[20]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[21]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[22]

Drug(s) Affected By Cytochrome P450 1A1 (CYP1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amodiaquine	DME4RA8	Malaria	1F40-1F45	Approved	[23]
Riluzole	DMECBWN	Amyotrophic lateral sclerosis	8B60.0	Approved	[24]
Flutamide	DMK0O7U	Prostate cancer	2C82.0	Approved	[25]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[26]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[27]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[28]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[29]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[30]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[31]
Clofibrate	DMPC1J7	Dysbetalipoproteinemia	5C80.2	Approved	[32]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gastric H(+)/K(+) ATPase (Proton pump)	TTLOKXP	ATP4A_HUMAN; ATP4B_HUMAN	Modulator	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Mephenytoin 4-hydroxylase (CYP2C19) Main DME	DEGTFWK	CP2CJ_HUMAN	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[5]

References

• [1] Esomeprazole FDA Label
• [2] 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: 5488).
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [4] Predictive performance of physiologically based pharmacokinetic (PBPK) modeling of drugs extensively metabolized by major cytochrome P450s in children. Clin Pharmacol Ther. 2018 Jul;104(1):188-200.
• [5] The effects of drugs with immunosuppressive or immunomodulatory activities on xenobiotics-metabolizing enzymes expression in primary human hepatocytes. Toxicol In Vitro. 2015 Aug;29(5):1088-99.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2008
• [7] N-(2-hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide (PF-03716556), a novel, potent, and selective acid pump antagonist for the treatment of gastroesophageal reflux disease. J Pharmacol Exp Ther. 2009 Feb;328(2):671-9.
• [8] Poor effectiveness of proton pump inhibitors in non-erosive reflux disease: the truth in the end! Neurogastroenterol Motil.2012 Aug;24(8):697-704.
• [9] Tenatoprazole, a novel proton pump inhibitor with a prolonged plasma half-life: effects on intragastric pH and comparison with esomeprazole in heal... Aliment Pharmacol Ther. 2004 Mar 15;19(6):655-62.
• [10] Mechanism of action of AZD0865, a K+-competitive inhibitor of gastric H+,K+-ATPase. Biochem Pharmacol. 2007 Jan 15;73(2):198-205.
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• [12] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [13] High-dose rabeprazole/amoxicillin therapy as the second-line regimen after failure to eradicate H. pylori by triple therapy with the usual doses of a proton pump inhibitor, clarithromycin and amoxicillin. Hepatogastroenterology. 2003 Nov-Dec;50(54):2274-8.
• [14] Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
• [15] Cytochrome P450 pharmacogenetics and cancer. Oncogene. 2006 Mar 13;25(11):1679-91.
• [16] CYP2C19*17 is associated with decreased breast cancer risk. Breast Cancer Res Treat. 2009 May;115(2):391-6.
• [17] Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
• [18] Cytochromes of the P450 2C subfamily are the major enzymes involved in the O-demethylation of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1995 Dec;353(1):116-21.
• [19] Diclofenac and its derivatives as tools for studying human cytochromes P450 active sites: particular efficiency and regioselectivity of P450 2Cs. Biochemistry. 1999 Oct 26;38(43):14264-70.
• [20] A mechanistic approach to antiepileptic drug interactions. Ann Pharmacother. 1998 May;32(5):554-63.
• [21] Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33.
• [22] Possible involvement of multiple human cytochrome P450 isoforms in the liver metabolism of propofol. Br J Anaesth. 1998 Jun;80(6):788-95.
• [23] Cytochrome P450 1A1/2 induction by antiparasitic drugs: dose-dependent increase in ethoxyresorufin O-deethylase activity and mRNA caused by quinine, primaquine and albendazole in HepG2 cells. Eur J Clin Pharmacol. 2002 Nov;58(8):537-42.
• [24] Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury. J Toxicol Sci. 2021;46(4):167-176. doi: 10.2131/jts.46.167.
• [25] Anti-androgenic effect of 6-formylindolo[3,2-b]carbazole (FICZ) in LNCaP cells is mediated by the aryl hydrocarbon-androgen receptors cross-talk. Steroids. 2020 Jan;153:108508. doi: 10.1016/j.steroids.2019.108508. Epub 2019 Oct 3.
• [26] Pharmacologic profiling of human and rat cytochrome P450 1A1 and 1A2 induction and competition. Arch Toxicol. 2008 Dec;82(12):909-21.
• [27] Effect of CYP1A1 gene polymorphisms on estrogen metabolism and bone density. J Bone Miner Res. 2005 Feb;20(2):232-9. doi: 10.1359/JBMR.041110. Epub 2004 Nov 16.
• [28] Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
• [29] Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.
• [30] Gene expression changes in human small airway epithelial cells exposed to Delta9-tetrahydrocannabinol. Toxicol Lett. 2005 Aug 14;158(2):95-107.
• [31] The metallohormone cadmium modulates AhR-associated gene expression in the small intestine of rats similar to ethinyl-estradiol. Arch Toxicol. 2013 Apr;87(4):633-43.
• [32] Evidence for a new human CYP1A1 regulation pathway involving PPAR-alpha and 2 PPRE sites. Gastroenterology. 2004 Nov;127(5):1436-45.