| Compound Information | SONAR Target prediction |
| Name: | FLUOROURACIL |
| Unique Identifier: | SPE01500305 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 127.053 g/mol |
| X log p: | 1.661 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | FC1=CNC(=O)NC1=O |
| Source: | synthetic |
| Therapeutics: | antineoplastic, pyrimidine antimetabolite |
| Generic_name: | Fluorouracil |
| Chemical_iupac_name: | 5-fluoro-1H-pyrimidine-2,4-dione |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449672 |
| Kegg_compound_id: | C07649 |
| Drugbank_id: | APRD00516 |
| Melting_point: | 280-282oC |
| H2o_solubility: | < 0.1 g/100 mL at 19 °C |
| Logp: | -0.77 |
| Isoelectric_point: | 8.02 |
| Cas_registry_number: | 51-21-8 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C51218&Index=0&Type=Mass&Large=on |
| Drug_category: | Immunosuppressive Agents; Antimetabolites; Antineoplastic Agents; ATC:L01BC02 |
| Indication: | For the topical treatment of multiple actinic or solar keratoses. In the 5% strength it is also useful in the treatment of superficial basal cell carcinomas when conventional methods are impractical, such as with multiple lesions or difficult treatment sites. Fluorouracil injection is indicated in the palliative management of some types of cancer, including colon, rectum, breast, stomach and pancrease. |
| Pharmacology: | Fluorouracil is an antineoplastic anti-metabolite. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the "S" phase (of the cell cycle), stopping normal development and division. Fluorouracil blocks an enzyme which converts the cytosine nucleotide into the deoxy derivative. In addition, DNA synthesis is further inhibited because Fluorouracil blocks the incorporation of the thymidine nucleotide into the DNA strand. |
| Mechanism_of_action: | Fluorouracil inhibits thymidylate synthetase, leading to inhibition of DNA and RNA synthesis and cell death. |
| Organisms_affected: | Humans and other mammals |
| Found: 159 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [159] |
| Species: | 4932 |
| Condition: | IRE1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4380±0.0299813 |
| Normalized OD Score: sc h | 0.6090±0.0411066 |
| Z-Score: | -18.0561±2.76826 |
| p-Value: | 0 |
| Z-Factor: | 0.168385 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 4 |
| 3385 | 5-fluoro-1H-pyrimidine-2,4-dione |
| 424886 | azanide; 5-fluoropyrimidine-2,6-dione; platinum(+4) cation |
| 450213 | 5-fluoro-1H-pyrimidine-2,4-dione |
| 3470637 | (5-fluoro-6-oxo-3H-pyrimidin-2-ylidene)oxidanium; mercury(+2) cation |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00916 | 1.0000 |
| active | Cluster 5359 | Additional Members: 5 | Rows returned: 1 |
| LOPAC 00916 | 0 |
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