| Compound Information | SONAR Target prediction |
| Name: | AMINOSALICYLATE SODIUM |
| Unique Identifier: | SPE01500116 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 146.08 g/mol |
| X log p: | 4.869 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 17.07 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | Nc1ccc(C(O)=O)c(O)c1 |
| Source: | synthetic |
| Therapeutics: | antibacterial, tuberculostatic |
| Generic_name: | Aminosalicylic Acid |
| Chemical_iupac_name: | 4-amino-2-hydroxy-benzoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448382 |
| Kegg_compound_id: | C02518 |
| Drugbank_id: | APRD00749 |
| Melting_point: | 150.5 oC |
| H2o_solubility: | 1690 mg/L |
| Logp: | 1.012 |
| Isoelectric_point: | 2.05 |
| Cas_registry_number: | 65-49-6 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C65496&Index=0&Type=Mass&Large=on |
| Drug_category: | Antituberculosis Agents; ATC:J04AA01 |
| Indication: | For the treatment of tuberculosis |
| Pharmacology: | Aminosalicylic acid is an anti-mycobacterial agent used with other anti-tuberculosis drugs (most often isoniazid) for the treatment of all forms of active tuberculosis due to susceptible strains of tubercle bacilli. The two major considerations in the clinical pharmacology of aminosalicylic acid are the prompt production of a toxic inactive metabolite under acid conditions and the short serum half life of one hour for the free drug. Aminosalicylic acid is bacteriostatic against Mycobacterium tuberculosis (prevents the multiplying of bacteria without destroying them). It also inhibits the onset of bacterial resistance to streptomycin and isoniazid. |
| Mechanism_of_action: | There are two mechanisms responsible for aminosalicylic acid-s bacteriostatic action against Mycobacterium tuberculosis. Firstly, aminosalicylic acid inhibits folic acid synthesis (without potentiation with antifolic compounds). The binding of para-aminobenzoic acid to pteridine synthetase acts as the first step in folic acid synthesis. Aminosalicylic acid binds pteridine synthetase with greater affinity than para-aminobenzoic acid, effectively inhibiting the synthesis of folic acid. As bacteria are unable to use external sources of folic acid, cell growth and multiplication slows. Secondly, aminosalicylic acid may inhibit the synthesis of the cell wall component, mycobactin, thus reducing iron uptake by M. tuberculosis. |
| Organisms_affected: | Mycobacteria |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 191 192 193 194 195 196 197 198 199 200 Next >> [205] |
| Species: | 4932 |
| Condition: | TRK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4565±0.0108894 |
| Normalized OD Score: sc h | 0.9678±0.00810574 |
| Z-Score: | -0.9979±0.248357 |
| p-Value: | 0.325732 |
| Z-Factor: | -3.92422 |
| Fitness Defect: | 1.1217 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 16 | << Back 1 2 3 |
| 5282390 | sodium 4-amino-2-hydroxy-benzoate dihydrate |
| 11980086 | 4-amino-2-hydroxy-benzoate; cyclohexatriene; oxygen(-2) anion; tin(+4) cation |
| 11988145 | 4-amino-2-hydroxy-benzoic acid |
| 16051922 | sodium 4-amino-2-hydroxy-benzoic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 8873 | Additional Members: 5 | Rows returned: 1 |
| SPE00305025 | 0.511111111111111 |
Service provided by the
Mike Tyers Laboratory