| Compound Information | SONAR Target prediction |
| Name: | NIACIN |
| Unique Identifier: | SPE01500430 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 118.07 g/mol |
| X log p: | 7.205 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 29.43 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | OC(=O)c1cccnc1 |
| Class: | alkaloid |
| Source: | widespread in the plant and fungal kingdom |
| Therapeutics: | antihyperlipidemic, vitamin (enzyme cofactor) |
| Generic_name: | Vitamin B3 (Niacin) |
| Chemical_iupac_name: | pyridine-3-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450617 |
| Kegg_compound_id: | C00253 |
| Drugbank_id: | APRD00536 |
| Melting_point: | 237 oC |
| H2o_solubility: | 1.8E+004 mg/L |
| Logp: | 0.225 |
| Isoelectric_point: | 4.75 |
| Cas_registry_number: | 59-67-6 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C59676&Index=0&Type=Mass&Large=on |
| Drug_category: | Vasodilator Agents; Antilipemic Agents; Vitamins (Vitamin B Complex); ATC:C04AC01; ATC:C10AD02 |
| Indication: | For the treatment of type IV and V hyperlipidemia. It is indicated as ajunctive therapy. |
| Pharmacology: | Niacin and niacinamide are indicated for prevention and treatment of vitamin B3 deficiency states. Vitamin B3 (Niacin) also acts to reduce LDL cholesterol, triglycerides, and HDL cholesterol. The magnitude of individual lipid and lipoprotein responses may be influenced by the severity and type of underlying lipid abnormality. The increase in total HDL is associated with a shift in the distribution of HDL subfractions (as defined by ultra-centrifugation) with an increase in the HDL2:HDL3 ratio and an increase in apolipoprotein A-I content. Vitamin B3 (Niacin) treatment also decreases the serum levels of apolipoprotein B-100 (apo B), the major protein component of the VLDL (very low-density lipoprotein) and LDL fractions, and of lipoprotein-a, a variant form of LDL independently associated with coronary risk. |
| Mechanism_of_action: | Niacin binds to Nicotinate D-ribonucleotide phyrophsopate phosphoribosyltransferase, Nicotinic acid phosphoribosyltransferase, Nicotinate N-methyltransferase and the Niacin receptor. Niacin is the precursor to nicotinamide adenine dinucleotide (NAD) and nicotinamide adenine dinucleotide phosphate (NADP), which are vital cofactors for dozens of enzymes. The mechanism by which niacin exerts its lipid lowering effects is not entirely understood, but may involve several actions, including a decrease in esterification of hepatic triglycerides. Niacin treatment also decreases the serum levels of apolipoprotein B-100 (apo B), the major protein component of the VLDL (very low-density lipoprotein) and LDL fractions. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | SEC22 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6716±0.00339411 |
| Normalized OD Score: sc h | 1.1318±0.00492904 |
| Z-Score: | 4.5823±0.386711 |
| p-Value: | 0.00000880334 |
| Z-Factor: | -0.680253 |
| Fitness Defect: | 11.6404 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 20 | 1 2 3 4 Next >> |
| 937 | pyridine-3-carboxylate |
| 938 | pyridine-3-carboxylic acid |
| 5914 | sodium pyridine-3-carboxylate |
| 16098 | aluminum(+3) cation; pyridine-3-carboxylate |
| 23472 | magnesium(+2) cation; pyridine-3-carboxylate |
| 27884 | praseodymium; pyridine-3-carboxylate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 6743 | Additional Members: 9 | Rows returned: 0 |
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