| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 25 | Yes |
Popular Name: Lansoprazole Lansoprazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103577-45-3 , 138530-94-6 , [103577-45-3]
103577-45-3; D00355; Lansoprazole (JAN/USP/INN); Prevacid (TN)
1H-Benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-
1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole
2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl)methyl)sulfinyl)-1H-benzimidazole
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl)methyl)sulfinyl)benzimidazole
2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole
2-[({3-methyl-4-[(2,2,2-trifluoroethyl)oxy]pyridin-2-yl}methyl)sulfinyl]-1H-benzimidazole
2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-1H-benzoimidazole
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl] methyl] sulfinyl] benzimidazole
2-[[[3-methyl-4-(2,2,2-trifluroethoxy)-2-pyridyl]methyl]sulfinyl]benzimidazole
2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
Almirall Brand of Lansoprazole
Bamalite; Lanzol; Lanzopral; Lanzul; Limpidex; Monolitum; Ogastro; Opiren; Prevacid
CPD000058469; LANSOPRAZOLE; 103577-45-3
CPD000058469; LANSOPRAZOLE; SAM001246544
LANSOPRAZOLE; LS-187995; NAPROXEN; PREVACID NAPRAPAC 250 (COPACKAGED)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab
Prevacid, Prevacid NapraPAC, Prevacid SoluTab, Lansoprazole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.88 | 5.61 | -62.66 | 2 | 5 | 1 | 69 | 370.376 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.50e-01 g/l | DrugBank-approved |
| therap | antiulcer, proton pump inhibitor | MicroSource Spectrum |
| Therapy | antiulcerative | SMDC Iconix |
| Indications | antiulcerative, gastroesophageal reflux disease (GERD) | KeyOrganics Bioactives |
| Patent Database Links | EP0998944; EP1000943; EP1222922; EP1438962; EP1466897; EP1525882; EP1552833; EP1602362; EP1607088; EP1611901; EP1616562; EP1629835; EP1652514; EP1674078; EP1676557; EP1681052; EP1681056; EP1721604; EP1728512; EP1731141; EP1736144; EP1743893; EP1747800; EP | ChEBI |
| mechanism | H-K ATPASE inhibitor | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01175l | NIH Clinical Collection via PubChem |
| Target | Proton Pump | Selleck Chemicals |
| mechanism | Proton pump inhibitor | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01175l | NIH Clinical Collection via PubChem |
| biological_use | Used as an antiulcerogenic agent for duodenal ulcers and gastroesophageal reflux disease | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A-1-E | Potassium-transporting ATPase Alpha Chain 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 398 | 0.36 | Binding ≤ 10μM |
| ATP4B-1-E | Potassium-transporting ATPase Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 398 | 0.36 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 398.107171 | 0.36 | Binding ≤ 1μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 398.107171 | 0.36 | Binding ≤ 1μM |
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 398.107171 | 0.36 | Binding ≤ 10μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 398.107171 | 0.36 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ion transport by P-type ATPases |
