Molecule Details
| InChIKey | RJIWZDNTCBHXAL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nitroxoline |
| Canonical SMILES | O=[N+]([O-])c1ccc(O)c2ncccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.35 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01422 |
|---|---|
| Drug Name | Nitroxoline |
| CAS Number | 4008-48-4 |
| Groups | experimental |
| ATC Codes | J01XX07 |
| Description | Nitroxoline is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a hydroxyquinoline derivative unrelated to other classes of drugs.[A179251] Nitroxoline is active against bacterial gyrases. |
Categories: Anti-Infective Agents Anti-Infective Agents, Urinary Antibacterials for Systemic Use Antifungal Agents Antiinfectives for Systemic Use Heterocyclic Compounds, Fused-Ring Nitro Compounds Quinolines
Cross-references: BindingDB: 64987 ChEBI: 67121 CHEMBL1454910 ChemSpider: 18756 PDB: HNQ PharmGKB: PA164754993 PubChem:19910 PubChem:46505497 RxCUI: 31901 Wikipedia: Nitroxoline ZINC: ZINC000015831592
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50579 | METAP2 | Homo sapiens | Human | PF00557 | 7.3 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.0 | Ki | ChEMBL;BindingDB |
| Q9K2N0 | blaVIM-2 | Pseudomonas aeruginosa | Pathogen | PF00753 | 6.4 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 6.1 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P50579 | METAP2 | Methionine aminopeptidase 2 | inhibitor | targets |