Molecule Details
| InChIKey | MQQNFDZXWVTQEH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nafamostat |
| Canonical SMILES | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12598 |
|---|---|
| Drug Name | Nafamostat |
| CAS Number | 81525-10-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Nafamostat is a synthetic serine protease inhibitor that is commonly formulated with hydrochloric acid due to its basic properties. It has been used in trials studying the prevention of Liver Transplantation and Postreperfusion Syndrome. The use of nafamostat in Asian countries is approved as an ant... |
Categories: Amidines Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anticoagulants Antirheumatic Agents Complement Inactivating Agents Enzyme Inhibitors Fibrinolysin, antagonists & inhibitors Hematologic Agents Immunologic Factors Kallikreins, antagonists & inhibitors OCT1 substrates OCT2 Substrates Peripheral Nervous System Agents Protease Inhibitors Sensory System Agents Serine Protease Inhibitors Trypsin Inhibitors
Cross-references: BindingDB: 50063698 ChEBI: 135466 CHEMBL273264 ChemSpider: 4260 PDB: 7RF PubChem:4413 PubChem:347828816 Wikipedia: Nafamostat ZINC: ZINC000003874467
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 10.7 | Ki | ChEMBL |
| P05981 | HPN | Homo sapiens | Human | PF09272 PF00089 | 9.3 | Ki | ChEMBL |
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 9.2 | IC50 | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.7 | IC50 | ChEMBL |
| Q04756 | HGFAC | Homo sapiens | Human | PF00008 PF00040 PF00051 PF00089 | 7.6 | Ki | ChEMBL |
| P09871 | C1S | Homo sapiens | Human | PF00431 PF14670 PF00084 PF00089 | 7.2 | IC50 | ChEMBL |
| P00748 | F12 | Homo sapiens | Human | PF00008 PF00039 PF00040 PF00051 PF00089 | 7.0 | Ki | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.5 | IC50 | ChEMBL |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.5 | IC50 | ChEMBL |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 6.2 | IC50 | ChEMBL |
| P00736 | C1R | Homo sapiens | Human | PF00431 PF14670 PF00084 PF00089 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00734 | F2 | Prothrombin | inhibitor | targets |
| P00742 | F10 | Coagulation factor X | inhibitor | targets |
| P00748 | F12 | Coagulation factor XII | inhibitor | targets |
| P05362 | ICAM1 | Intercellular adhesion molecule 1 | inhibitor | targets |
| P06870 | KLK1 | Kallikrein-1 | inhibitor | targets |
| P07477 | PRSS1 | Serine protease 1 | inhibitor | targets |
| P01375 | TNF | Tumor necrosis factor | other/unknown | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |