| Compound Information | SONAR Target prediction |
| Name: | Gemfibrozil |
| Unique Identifier: | LAT001B09 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C15H22O3 |
| Molecular Weight: | 228.159 g/mol |
| X log p: | 5.329 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 |
| Generic_name: | Gemfibrozil |
| Chemical_iupac_name: | 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449750 |
| Kegg_compound_id: | C07020 |
| Drugbank_id: | APRD00293 |
| Melting_point: | 61-63 oC |
| H2o_solubility: | 10 mg/mL (in base) |
| Logp: | 4.242 |
| Cas_registry_number: | 25812-30-0 |
| Drug_category: | Antilipemic Agents; Fribic Acid Derivatives; ATC:C10AB04 |
| Indication: | For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet. |
| Pharmacology: | Gemfibrozil, a fibric acid antilipemic agent similar to clofibrate, is used to treat hyperlipoproteinemia and as a second-line therapy for type IIb hypercholesterolemia. It acts to reduce triglyceride levels, reduce VLDL levels, reduce LDL levels (moderately), and increase HDL levels (moderately). |
| Mechanism_of_action: | Gemfibrozil increases the activity of extrahepatic lipoprotein lipase (LL), thereby increasing lipoprotein triglyceride lipolysis. Chylomicrons are degraded, VLDLs are converted to LDLs, and LDLs are converted to HDL. This is accompanied by a slight increase in secretion of lipids into the bile and ultimately the intestine. Gemfibrozil also inhibits the synthesis and increases the clearance of apolipoprotein B, a carrier molecule for VLDL. |
| Organisms_affected: | Humans and other mammals |
| Found: 5 nonactive as graph: single | with analogs | 1 2 3 4 5 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5987±0.00742462 |
| Normalized OD Score: sc h | 0.9634±0.00274205 |
| Z-Score: | -0.8972±0.14908 |
| p-Value: | 0.372286 |
| Z-Factor: | -11.1993 |
| Fitness Defect: | 0.9881 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 3463 | 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid |
| 10060023 | 5-(2,5-dimethylphenoxy)-2-methyl-pentanoic acid |
| internal high similarity DBLink | Rows returned: 2 |
| Prest637 | 1.0000 |
| SPE01500313 | 1.0000 |
| active | Cluster 4424 | Additional Members: 7 | Rows returned: 1 |
| SPE01500313 | 0 |
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