| Compound Information | SONAR Target prediction |
| Name: | TOLBUTAMIDE |
| Unique Identifier: | SPE01500581 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 252.206 g/mol |
| X log p: | 7.399 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 59.59 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 |
| Source: | synthetic |
| Therapeutics: | antidiabetic |
| Generic_name: | Tolbutamide |
| Chemical_iupac_name: | 3-butyl-1-(4-methylphenyl)sulfonyl-urea |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451718 |
| Kegg_compound_id: | C07148 |
| Drugbank_id: | APRD00267 |
| Melting_point: | 128.5 oC |
| H2o_solubility: | 109 mg/L |
| Logp: | 2.765 |
| Isoelectric_point: | 5.16 |
| Cas_registry_number: | 64-77-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C64777&Index=0&Type=Mass&Large=on |
| Drug_category: | Hypoglycemic Agents; Sulfonylureas; ATC:A10BB03; ATC:V04CA01 |
| Indication: | Used as an oral hypoglycemic agent in non-insulin-dependent (type 2) Diabetes Miletus with adult onset. |
| Pharmacology: | Tolbutamide, a second-generation sulfonylurea antidiabetic agent, is used with diet to lower blood glucose levels in patients with diabetes mellitus type II. Tolbutamide is twice as potent as the related second-generation agent glipizide. Tolbutamide lowers blood sugar by stimulating the pancreas to secrete insulin and helping the body use insulin efficiently. The pancreas must be able to produce insulin for this drug to work. |
| Mechanism_of_action: | Sulfonylureas lower blood glucose in patients with type 2 diabetes by directly stimulating the acute release of insulin from functioning beta cells of pancreatic islet tissue by an unknown process that involves a sulfonylurea receptor (receptor 1) on the beta cell. Sulfonylureas inhibit the ATP-potassium channels on the beta cell membrane and potassium efflux, which results in depolarization and calcium influx, calcium-calmodulin binding, kinase activation, and release of insulin-containing granules by exocytosis, an effect similar to that of glucose. |
| 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: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7318±0.0148492 |
| Normalized OD Score: sc h | 1.0047±0.00438967 |
| Z-Score: | 0.2538±0.238432 |
| p-Value: | 0.802402 |
| Z-Factor: | -7.69913 |
| Fitness Defect: | 0.2201 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 5505 | 3-butyl-1-(4-methylphenyl)sulfonyl-urea |
| 285626 | 3-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-urea |
| 16051994 | sodium 1-butyl-3-(4-methylphenyl)sulfonyl-urea |
| internal high similarity DBLink | Rows returned: 4 |
| SEW 04451 | 0.9205 |
| HTS 08346 | 0.9310 |
| SEW 04450 | 0.9878 |
| LOPAC 00077 | 1.0000 |
| active | Cluster 17828 | Additional Members: 9 | Rows returned: 0 |
Service provided by the
Mike Tyers Laboratory