| Compound Information | SONAR Target prediction |
| Name: | Nalidixic acid sodium |
| Unique Identifier: | LOPAC 01087 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C12H11N2NaO3 |
| Molecular Weight: | 243.13 g/mol |
| X log p: | 5.586 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 72.8 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | [Na+].[O-]C(=O)C1=CN(CC)c2nc(C)ccc2C1=O |
| Class: | Antibiotic |
| Action: | Inhibitor |
| Selectivity: | DNA Gyrase |
| Generic_name: | Nalidixic Acid |
| Chemical_iupac_name: | 1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450583 |
| Kegg_compound_id: | C05079 |
| Drugbank_id: | APRD01133 |
| Melting_point: | 229.5 oC |
| H2o_solubility: | 100 mg/L |
| Logp: | 0.949 |
| Isoelectric_point: | 8.6 |
| Cas_registry_number: | 08/02/389 |
| Drug_category: | Anti-Infective Agents; Enzyme Inhibitors; ATC:J01MB02 |
| Indication: | For the treatment of urinary tract infections caused by susceptible gram-negative microorganisms, including the majority of E. Coli, Enterobacter species, Klebsiella species, and Proteus species. |
| Pharmacology: | Nalidixic acid is a quinolone antibacterial agent for oral administration. Nalidixic acid has marked antibacterial activity against gram-negative bacteria including Enterobacter species, Escherichia coli, Morganella Morganii; Proteus Mirabilis, Proteus vulgaris, and Providencia rettgeri. Pseudomonas species are generally resistant to the drug. Nalidixic acid is bactericidal and is effective over the entire urinary pH range. Conventional chromosomal resistance to nalidixic acid taken in full dosage has been reported to emerge in approximately 2 to 14 percent of patients during treatment; however, bacterial resistance to nalidixic acid has not been shown to be transferable via R factor. |
| Mechanism_of_action: | Evidence exists that the active metabolite, hydroxynalidixic acid, binds strongly, but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with protein synthesis. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 22 nonactive | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [22] |
| Species: | 4932 |
| Condition: | DEP1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5847±0.00155563 |
| Normalized OD Score: sc h | 0.9766±0.00843827 |
| Z-Score: | -0.9525±0.303403 |
| p-Value: | 0.351876 |
| Z-Factor: | -3.02732 |
| Fitness Defect: | 1.0445 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 4421 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| 27477 | sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate |
| 3864541 | sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate |
| 3996620 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate |
| 6420028 | sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate hydrate |
| internal high similarity DBLink | Rows returned: 2 |
| RJC 03974 | 1.0000 |
| SPE01500756 | 1.0000 |
| active | Cluster 13339 | Additional Members: 8 | Rows returned: 2 |
| LAT003C10 | 0.379310344827586 |
| SPE01500756 | 0 |
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