| Compound Information | SONAR Target prediction |
| Name: | KETOPROFEN |
| Unique Identifier: | SPE01501215 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 240.169 g/mol |
| X log p: | 17.532 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 |
| Source: | synthetic |
| Therapeutics: | antiinflammatory |
| Generic_name: | Ketoprofen |
| Chemical_iupac_name: | 2-(3-benzoylphenyl)propanoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450149 |
| Kegg_compound_id: | C01716 |
| Drugbank_id: | APRD01059 |
| Melting_point: | 94 oC |
| H2o_solubility: | 51 mg/L |
| Logp: | 3.556 |
| Isoelectric_point: | 4.45 |
| Cas_registry_number: | 22071-15-4 |
| Drug_category: | Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; ATC:M01AE03; ATC:M01AE17; ATC:M02AA10 |
| Indication: | For the treatment of pain (muscular and rheumatic), sprains, strains, backache and neuralgia and for the management of the signs and symptoms of rheumatoid arthritis and osteoarthritis. |
| Pharmacology: | Ketoprofen is a nonsteroidal antiinflammatory drug (NSAID) with analgesic and antipyretic properties. Ketoprofen has pharmacologic actions similar to those of other prototypical NSAIDs, that is thought to be associated with the inhibition of prostaglandin synthesis. Ketoprofen is used to treat rheumatoid arthritis, osteoarthritis, dysmenorrhea, and to alleviate moderate pain. |
| Mechanism_of_action: | Ketoprofen is a nonsteroidal anti-inflammatory drug with analgesic and antipyretic properties. Its antiinflammatory effects are believed to be due to inhibition of both cylooxygenase-1 (COX-1) and cylooxygenase-2 (COX-2) which leads to the inhibition of prostaglandin synthesis, and leukotriene synthesis, to have antibrady-kinin activity, as well as to have lysosomal membrane-stabilizing action. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8830±0.00459619 |
| Normalized OD Score: sc h | 1.0123±0.000360766 |
| Z-Score: | 0.9244±0.0233973 |
| p-Value: | 0.355334 |
| Z-Factor: | -0.885448 |
| Fitness Defect: | 1.0347 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 6 |
| 3825 | 2-(3-benzoylphenyl)propanoic acid |
| 42390 | sodium 2-(3-benzoylphenyl)propanoate |
| 180540 | (2R)-2-(3-benzoylphenyl)propanoic acid |
| 667550 | (2S)-2-(3-benzoylphenyl)propanoic acid |
| 6919037 | (2R)-2-(3-benzoylphenyl)propanoate |
| 6919084 | (2S)-2-(3-benzoylphenyl)propanoate |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00995 | 1.0000 |
| active | Cluster 1218 | Additional Members: 4 | Rows returned: 1 |
| Prest814 | 0.527272727272727 |
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