| Compound Information | SONAR Target prediction |
| Name: | METRONIDAZOLE |
| Unique Identifier: | SPE01500412 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 162.083 g/mol |
| X log p: | 2.247 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 58.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | [O-][N+](=O)c1cnc(C)n1CCO |
| Source: | synthetic |
| Therapeutics: | antiprotozoal |
| Generic_name: | Metronidazole |
| Chemical_iupac_name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C07203 |
| Drugbank_id: | APRD00631 |
| Melting_point: | 160 oC |
| H2o_solubility: | <0.1g/100mL |
| Logp: | -0.262 |
| Cas_registry_number: | 443-48-1 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C443481&Index=0&Type=Mass&Large=on |
| Drug_category: | Radiation-Sensitizing Agents; Anti-Infectives; Antiprotozoals; ATC:A01AB17;
ATC:D06BX01; ATC:G01AF01; ATC:J01XD01; ATC:P01AB01 |
| Indication: | Treatment of acute acne rosacea |
| Pharmacology: | Metronidazole, a synthetic antibacterial and antiprotozoal agent of the
nitroimidazole class, is used against protozoa such as Trichomonas vaginalis,
amebiasis, and giardiasis. Metronidazole is extremely effective against anaerobic
bacterial infections and is also used to treat Crohn-s disease,
antibiotic-associated diarrhea, and rosacea. |
| Mechanism_of_action: | Unionized metronidazole is selective for anaerobic bacteria due to their ability to
intracellularly reduce metronidazole to its active form. This reduced metronidazole
then disrupts DNA-s helical structure, inhibiting bacterial nucleic acid synthesis
and resulting in bacterial cell death. |
| Organisms_affected: | Bacteria and protozoa |
