Molecule Details
| InChIKey | YREYEVIYCVEVJK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Rabeprazole |
| Canonical SMILES | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01129 |
|---|---|
| Drug Name | Rabeprazole |
| CAS Number | 117976-89-3 |
| Groups | approved investigational |
| ATC Codes | A02BD12 A02BD13 A02BC54 A02BC04 |
| Description | Rabeprazole is an antiulcer drug in the class of proton pump inhibitors. It is a prodrug - in the acid environment of the parietal cells it turns into active sulphenamide form. Rabeprazole inhibits the H+, K+ATPase of the coating gastric cells and dose-dependent oppresses basal and stimulated gastri... |
Categories: 2-Pyridinylmethylsulfinylbenzimidazoles Acetates Acid Reducers Acids, Acyclic Alimentary Tract and Metabolism Anti-Ulcer Agents Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids BCRP/ABCG2 Inhibitors Benzimidazoles Butylpyrazolidines Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates 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) Drugs that are Mainly Renally Excreted Enzyme Inhibitors Gastric Acid Lowering Agents Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Hydroxy Acids Musculo-Skeletal System Proton Pump Inhibitors Proton-pump Inhibitors Pyrazoles Pyrazolones Pyridines Sulfoxides Sulfur Compounds Topical Products for Joint and Muscular Pain
Cross-references: BindingDB: 651963 ChEBI: 8768 CHEMBL1219 ChemSpider: 4853 Drugs Product Database (DPD): 12149 C07864 D08463 PharmGKB: PA451216 PubChem:5029 PubChem:46506366 RxCUI: 114979 Therapeutic Targets Database: DAP000727 Wikipedia: Rabeprazole
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P61964 | WDR5 | Homo sapiens | Human | PF25175 | 6.3 | IC50 | ChEMBL |
| Q03164 | KMT2A | Homo sapiens | Human | PF05965 PF05964 PF00628 PF00856 PF02008 PF13771 | 6.3 | IC50 | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P14916 | ureA | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00699 PF00547 | 6.5 | IC50 | ChEMBL |
| P69996 | ureB | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF01979 PF00449 | 6.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | 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 |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P20648 | ATP4A | Potassium-transporting ATPase alpha chain 1 | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |