1.0 2009-07-21 20:27:31 UTC 2026-05-14 16:47:28 UTC T3D2873 Esomeprazole SmallMolecule Esomeprazole is an exogenous organic compound with the formula C17H19N3O3S and an average molecular weight of 345.42 g/mol. It exists as a solid at room temperature. Esomeprazole belongs to the sulfinylbenzimidazoles, a subclass of benzimidazoles within the organic compounds. As a proton pump inhibitor, esomeprazole suppresses gastric acid secretion through the specific inhibition of the H+/K+-ATPase in the gastric parietal cell. By acting specifically on the proton pump, it blocks the final step in acid production, which reduces gastric acidity. The compound has seven recorded protein targets, including the potassium-transporting ATPase alpha chain 1 (ATP4A), the sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1), the potassium-transporting ATPase subunit beta (ATP4B), the ATP-dependent translocase ABCB1, cytochrome P450 3A4 (CYP3A4), cytochrome P450 2C9 (CYP2C9), and one other protein. Esomeprazole is found in or released from 13 recorded sources. These include healthcare, pharmaceuticals, and veterinary products such as antiinflammatory and antirheumatic products and drugs for acid related disorders. It is also associated with drinking water and water supply, household cleaning and consumer products including pipe accessories and other smoking requisites, building and construction materials such as ladders, floors, tents or canopies, and electrical and electronic equipment including amplifiers, antennas, magnets, relays, and video games. Recorded exposure routes for the compound include oral, intravenous, and topical administration. Drug Synthetic Toxin Organic Compound Ether Drug Enzyme Inhibitor Anti-Ulcer Agent Histamine Antagonist Metabolite Proton Pump Inhibitor Synthetic Compound (+)-Omeprazole (-)-Omeprazole (R)-(+)-Omeprazole (S)-Esomeprazole (S)-Omeprazole Alenia Awa-Block Axagon Cor Cronopep Emanera Emep Emozul ES-OD Esmep Eso Esofag Esogastrosedol Esolok Esomarfan Esomenta Esomep Esomeprazol Esomeprazol Genfar Ésoméprazole Esomeprazolum Esopral Esorest Lucen Nexiam Nexium Nexium i.v. Perprazole C17H19N3O3S 345.416 345.114712179 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole 161796-78-7 COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1 SUBDBMMJDZJVOS-DEOSSOPVSA-N Organic compounds Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles Sulfinylbenzimidazoles Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Sulfinyl compounds Sulfoxides Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Imidazole Methylpyridine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Pyridine Sulfinyl compound Sulfinylbenzimidazole Sulfoxide Aromatic heteropolycyclic compounds 5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole Detected and Not Quantified Exogenous Membrane Solid White powder. melting_point 155°C solubility 3.53e-01 g/L logp 0.6 logp 1.66 ALOGPS logs -2.99 ALOGPS solubility 3.53e-01 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic 4.77 ChemAxon iupac 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole ChemAxon average_mass 345.416 ChemAxon mono_mass 345.114712179 ChemAxon smiles COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 ChemAxon formula C17H19N3O3S ChemAxon inchi InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1 ChemAxon inchikey SUBDBMMJDZJVOS-DEOSSOPVSA-N ChemAxon polar_surface_area 77.1 ChemAxon refractivity 93.66 ChemAxon polarizability 35.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Oral Esomeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H⁺/K⁺-ATPase in the gastric parietal cell. By acting specifically on the proton pump, Esomeprazole blocks the final step in acid production, thus reducing gastric acidity. Mainly hepatic. Esomeprazole is completely metabolized by the cytochrome P450 system via CYP2C19 and CYP3A4. Metabolism produces inactive hydroxy and desmethyl metabolites, which have no effect on gastric acid secretion. Less than 1% of the parent drug is excreted in urine. Route of Elimination: Approximately 80% of the administered dose of esomeprazole is excreted as metabolites in urine and the remaining 20% is excreted in feces. Half Life: 1-1.5 hours No indication of carcinogenicity to humans (not listed by IARC). Used in the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. Used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. [Wikipedia] #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae72db70> Blurred vision, confusion, drowsiness, dry mouthflushingheadache, nausea, rapid heartbeat, sweating. DB00736 HMDB14874 9579578 CHEMBL1201320 7853936 C07324 50275 Esomeprazole http://en.wikipedia.org/wiki/Esomeprazole 10886041 Drugs.com: http://www.drugs.com/cons/Esomeprazole.html BE0000732 Esomeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H⁺/K⁺-ATPase in the gastric parietal cell. By acting specifically on the proton pump, Esomeprazole blocks the final step in acid production, thus reducing gastric acidity. BE0000976 Esomeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H⁺/K⁺-ATPase in the gastric parietal cell. By acting specifically on the proton pump, Esomeprazole blocks the final step in acid production, thus reducing gastric acidity. BE0000619 IC50 0.25 uM BindingDB 50241343 IC50 0.28 uM BindingDB 50241343 IC50 0.37 uM BindingDB 50241343 IC50 2 uM BindingDB 50241343 IC50 3.8 uM BindingDB 50241343 BE0001032 IC50 17.7 uM BindingDB 50241343 IC50 89 uM BindingDB 50241343 IC50 91.2 uM BindingDB 50241343 IC50 97.2 uM BindingDB 50241343 BE0002793 Inhibitory 45 uM BindingDB 50241343 BE0002638 IC50 77.98 uM BindingDB 50241343 BE0000349 Esomeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H⁺/K⁺-ATPase in the gastric parietal cell. By acting specifically on the proton pump, Esomeprazole blocks the final step in acid production, thus reducing gastric acidity. BE0000766