| Compound Information | SONAR Target prediction |
| Name: | Pyroxidine Hcl |
| Unique Identifier: | LAT006C06 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C8H11NO3 |
| Molecular Weight: | 158.091 g/mol |
| X log p: | 1.498 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 12.36 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Cc1ncc(CO)c(CO)c1O |
| Generic_name: | Vitamin B6 (Pyridoxine) |
| Chemical_iupac_name: | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451897 |
| Drugbank_id: | APRD00204 |
| Melting_point: | 207 oC |
| H2o_solubility: | 2.2E+005 mg/L |
| Logp: | -0.784 |
| Cas_registry_number: | 58-56-0 |
| Drug_category: | Anti-inflammatory Agents; Essential Vitamin; Vitamins (Vitamin BComplex); ATC:A11HA02 |
| Indication: | For the treatment of vitamin B6 deficiency and for the prophylaxis of isoniazid-induced peripheral neuropathy. |
| Pharmacology: | Vitamin B6 (pyridoxine) is a water-soluble vitamin used in the prophylaxis and treatment of vitamin B6 deficiency and peripheral neuropathy in those receiving isoniazid (isonicotinic acid hydrazide, INH). Vitamin B6 has been found to lower systolic and diastolic blood pressure in a small group of subjects with essential hypertension. Hypertension is another risk factor for atherosclerosis and coronary heart disease. Another study showed pyridoxine hydrochloride to inhibit ADP- or epinephrine-induced platelet aggregation and to lower total cholesterol levels and increase HDL-cholesterol levels, again in a small group of subjects. Vitamin B6, in the form of pyridoxal 5--phosphate, was found to protect vascular endothelial cells in culture from injury by activated platelets. Endothelial injury and dysfunction are critical initiating events in the pathogenesis of atherosclerosis. Human studies have demonstrated that vitamin B6 deficiency affects cellular and humoral responses of the immune system. Vitamin B6 deficiency results in altered lymphocyte differentiation and maturation, reduced delayed-type hypersensitivity (DTH) responses, impaired antibody production, decreased lymphocyte proliferation and decreased interleukin (IL)-2 production, among other immunologic activities. |
| Mechanism_of_action: | Vitamin B6 is the collective term for a group of three related compounds, pyridoxine (PN), pyridoxal (PL) and pyridoxamine (PM), and their phosphorylated derivatives, pyridoxine 5--phosphate (PNP), pyridoxal 5--phosphate (PLP) and pyridoxamine 5--phosphate (PMP). Although all six of these compounds should technically be referred to as vitamin B6, the term vitamin B6 is commonly used interchangeably with just one of them, pyridoxine. Vitamin B6, principally in the form of the coenzyme pyridoxal 5--phosphate, is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA). |
| 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 | 0.6333±0.00247487 |
| Normalized OD Score: sc h | 1.0127±0.0146126 |
| Z-Score: | 0.4826±0.379725 |
| p-Value: | 0.641554 |
| Z-Factor: | -4.77803 |
| Fitness Defect: | 0.4439 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 1054 | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| 6019 | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol hydrochloride |
| 3076820 | dipotassium; [5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methanolate; magnesium(+2) cation; dichloride; dihydrate |
| 10464814 | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| 11105834 | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| internal high similarity DBLink | Rows returned: 1 |
| Prest925 | 1.0000 |
| active | Cluster 3939 | Additional Members: 6 | Rows returned: 0 |
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