Molecule Details
| InChIKey | VMXUWOKSQNHOCA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ranisen |
| Canonical SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00863 |
|---|---|
| Drug Name | Ranitidine |
| CAS Number | 66357-35-5 |
| Groups | approved investigational withdrawn |
| ATC Codes | A02BA07 A02BA02 |
| Description | Ranitidine is a commonly used drug, classified as a histamine H2-receptor antagonist, and belongs to the same drug class as [cimetidine] and [famotidine]. This drug helps to prevent and treat gastric-acid associated conditions, including ulcers, because of its ability to decrease gastric acid secret... |
Categories: Acid Reducers Agents Causing Muscle Toxicity Alimentary Tract and Metabolism Anti-Ulcer Agents Cholinesterase Inhibitors Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) 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 Furans Gastric Acid Lowering Agents Gastrointestinal Agents Histamine Antagonists Histamine H2 Antagonists OAT1/SLC22A6 Substrates OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Substrates OCT1 inhibitors OCT1 substrates OCT2 Inhibitors OCT2 Substrates P-glycoprotein inhibitors P-glycoprotein substrates
Cross-references: BindingDB: 50103506 ChEBI: 92246 CHEMBL1790041 ChemSpider: 4863 Drugs Product Database (DPD): 11096 Guide to Pharmacology: 1234 IUPHAR: 1234 D00422 PharmGKB: PA451224 PubChem:3001055 PubChem:46505543 RxCUI: 9143 Therapeutic Targets Database: DAP000340 Wikipedia: Ranitidine
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20648 | ATP4A | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 PF09040 PF08282 | 7.4 | IC50 | ChEMBL |
| P51164 | ATP4B | Homo sapiens | Human | PF00287 | 7.4 | IC50 | ChEMBL |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 7.2 | Kd | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P22303 | ACHE | Acetylcholinesterase | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P25021 | HRH2 | Histamine H2 receptor | antagonist | targets |
| P22303 | ACHE | Acetylcholinesterase | inhibitor | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |