| Compound Information | SONAR Target prediction |
| Name: | DICLOFENAC SODIUM |
| Unique Identifier: | SPE01500237 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 308.051 g/mol |
| X log p: | 15.105 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 40.13 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | [Na+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
| Source: | synthetic |
| Therapeutics: | antiinflammatory |
| Generic_name: | Diclofenac |
| Chemical_iupac_name: | 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449293 |
| Kegg_compound_id: | C01690 |
| Drugbank_id: | APRD00527 |
| Melting_point: | 283-285oC |
| H2o_solubility: | 0.00082 mg/mL (Na salt); 2.43 mg/mL (K salt) |
| Logp: | 4.218 |
| Isoelectric_point: | 4.15 |
| Cas_registry_number: | 15307-86-5 |
| Drug_category: | Nonsteroidal Antiinflammatory Agents (NSAIDs); Cyclooxygenase Inhibitors; ATC:M01AB05; ATC:M02AA15; ATC:S01BC03 |
| Indication: | For the acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. |
| Pharmacology: | Diclofenac is an acetic acid nonsteroidal antiinflammatory drug (NSAID) with analgesic and antipyretic properties. Diclofenac is used to treat pain, dysmenorrhea, ocular inflammation, osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, and actinic keratosis |
| Mechanism_of_action: | The antiinflammatory effects of diclofenac are believed to be due to inhibition of both leukocyte migration and the enzyme cylooxygenase (COX-1 and COX-2), leading to the peripheral inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, inhibition of their synthesis is responsible for the analgesic effects of ketoprofen. Antipyretic effects may be due to action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat dissipation. |
| Organisms_affected: | Humans and other mammals |
| Found: 17 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | BY4741-2nd |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6721±0 |
| Normalized OD Score: sc h | 0.8888±0 |
| Z-Score: | -4.6877±0 |
| p-Value: | 0.000002763 |
| Z-Factor: | 0.180103 |
| Fitness Defect: | 12.7992 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 5 |
| 3032 | 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate |
| 3033 | 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid |
| 27194 | sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate |
| 66378 | potassium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate |
| 5018304 | sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00042 | 0.9136 |
| active | Cluster 2098 | Additional Members: 5 | Rows returned: 0 |
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