| Compound Information | SONAR Target prediction |
| Name: | TINIDAZOLE |
| Unique Identifier: | SPE01502127 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 234.169 g/mol |
| X log p: | 1.748 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 101.26 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | [O-][N+](=O)c1cnc(C)n1CCS(=O)(=O)CC |
| Source: | synthetic |
| Therapeutics: | antiprotozoal |
| Generic_name: | Tinidazole |
| Chemical_iupac_name: | 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA10813 |
| Kegg_compound_id: | D01426 |
| Drugbank_id: | APRD01260 |
| Melting_point: | 127-128 oC |
| H2o_solubility: | 1.99E+004 mg/L |
| Logp: | 0.119 |
| Cas_registry_number: | 19387-91-8 |
| Drug_category: | Antitrichomonal Agents; Anti-Infectives; Antiprotozoals; ATC:J01XD02; ATC:P01AB02 |
| Indication: | For the treatment of trichomoniasis caused by T. vaginalis in both female and male patients. Also for the treatment of giardiasis caused by G. duodenalis in both adults and pediatric patients older than three years of age and for the treatment of intestinal amebiasis and amebic liver abscess caused by E. histolytica in both adults and pediatric patients older than three years of age. |
| Pharmacology: | Tinidazole is a synthetic antiprotozoal agent. Tinidazole demonstrates activity both in vitro and in clinical infections against the following protozoa: Trichomonas vaginalis, Giardia duodenalis (also termed G. lamblia), and Entamoeba histolytica. Tinidazole does not appear to have activity against most strains of vaginal lactobacilli. |
| Mechanism_of_action: | Tinidazole is an antiprotozoal agent. The nitro group of tinidazole is reduced by cell extracts of Trichomonas. The free nitro radical generated as a result of this reduction may be responsible for the antiprotozoal activity. The mechanism by which tinidazole exhibits activity against Giardia and Entamoeba species is not known. |
| Organisms_affected: | Trichomonas vaginalis, Giardia duodenalis (also termed G. lamblia), and Entamoeba histolytica |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7282±0.00226274 |
| Normalized OD Score: sc h | 0.9974±0.00218906 |
| Z-Score: | -0.1399±0.119596 |
| p-Value: | 0.889144 |
| Z-Factor: | -22.3603 |
| Fitness Defect: | 0.1175 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 5479 | 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 6826 | Additional Members: 11 | Rows returned: 1 |
| Prest334 | 0 |
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