Molecule Details
| InChIKey | MJIHNNLFOKEZEW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Lansoprazole |
| Canonical SMILES | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00448 |
|---|---|
| Drug Name | Lansoprazole |
| CAS Number | 103577-45-3 |
| Groups | approved investigational |
| ATC Codes | A02BC03 A02BD02 A02BD07 A02BD09 A02BD10 A02BD03 A02BC53 |
| Description | Lansoprazole marketed under the brand Prevacid, is a proton pump inhibitor (PPI) and is structurally classified as a substituted benzimidazole.[A177065] It reduces gastric acid secretion by targeting gastric H,K-ATPase pumps and is thus effective at promoting healing in ulcerative diseases, and trea... |
Categories: Acid Reducers Alimentary Tract and Metabolism Anti-Ulcer Agents BCRP/ABCG2 Inhibitors Benzimidazoles Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (strong) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Acid Related Disorders Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord) Gastric Acid Lowering Agents Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Inhibition Gastric Acid Secretion OAT3/SLC22A8 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Proton Pump Inhibitors Proton-pump Inhibitors Pyridines Sulfoxides Sulfur Compounds
Cross-references: BindingDB: 50070208 ChEBI: 6375 CHEMBL480 ChemSpider: 3746 Drugs Product Database (DPD): 180 D00355 PharmGKB: PA450180 PubChem:3883 PubChem:46508975 RxCUI: 17128 Therapeutic Targets Database: DAP000725 Wikipedia: Lansoprazole
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10636 | MAPT | Homo sapiens | Human | PF00418 | 8.6 | Ki | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P20648 | ATP4A | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 PF09040 PF08282 | 6.4 | IC50 | ChEMBL;BindingDB |
| P51164 | ATP4B | Homo sapiens | Human | PF00287 | 6.4 | IC50 | ChEMBL |
| Q8TCT1 | PHOSPHO1 | Homo sapiens | Human | PF06888 | 6.4 | IC50 | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.4 | IC50 | ChEMBL |
DrugBank Target Actions (21)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P33260 | CYP2C18 | Cytochrome P450 2C18 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P10636 | MAPT | Microtubule-associated protein tau | binder | targets |
| P20648 | ATP4A | Potassium-transporting ATPase alpha chain 1 | inhibitor | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | binder | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | binder | transporters |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | binder | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |