Molecule Details
| InChIKey | XUFQPHANEAPEMJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gastro |
| Canonical SMILES | NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.86 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00927 |
|---|---|
| Drug Name | Famotidine |
| CAS Number | 76824-35-6 |
| Groups | approved investigational |
| ATC Codes | A02BA03 A02BA53 |
| Description | Famotidine is a competitive histamine-2 (H<sub>2</sub>) receptor antagonist that works to inhibit gastric acid secretion. It is commonly used in gastrointestinal conditions related to acid secretion, such as gastric ulcers and gastroesophageal reflux disease (GERD), in adults and children.[L11166] C... |
Categories: Acid Reducers Alimentary Tract and Metabolism Anti-Ulcer Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Drugs for Acid Related Disorders Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord) Gastric Acid Lowering Agents Gastrointestinal Agents Histamine Agents Histamine Antagonists Histamine H2 Antagonists MATE 1 Inhibitors MATE inhibitors Neurotransmitter Agents OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates OCT2 Inhibitors Potential QTc-Prolonging Agents QTc Prolonging Agents Sulfur Compounds Thiazoles
Cross-references: BindingDB: 50103514 ChEBI: 4975 CHEMBL902 ChemSpider: 3208 Drugs Product Database (DPD): 1395 D00318 PharmGKB: PA449586 PubChem:3325 PubChem:46507397 RxCUI: 4278 Therapeutic Targets Database: DAP000341 Wikipedia: Famotidine ZINC: ZINC000001530636
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| Q96FL8 | SLC47A1 | Homo sapiens | Human | PF01554 | 6.1 | IC50 | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P25021 | HRH2 | Histamine H2 receptor | antagonist | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |