Details of the Drug

General Information of Drug (ID: DMQVRZH)

Drug Name
Vitamin B3
Synonyms Niacin (TN); Niacinamide (TN); Nicotinamide (TN)
Indication
Disease Entry ICD 11 Status REF
Lipid metabolism disorder 5C52.Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 123.11
Topological Polar Surface Area (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 6.66 mgh/L [2]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 2.42 mg/L [2]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 3 h [2]
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Elimination
69.5% of a dose of niacin is recovered in urine [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 0.9 hours [4]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 101.53336 micromolar/kg/day [5]
Water Solubility
The ability of drug to dissolve in water is measured as 16.66 mg/mL [3]
Chemical Identifiers
Formula
C6H5NO2
IUPAC Name
pyridine-3-carboxylic acid
Canonical SMILES
C1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey
PVNIIMVLHYAWGP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
938
ChEBI ID
CHEBI:15940
CAS Number
59-67-6
DrugBank ID
DB00627
TTD ID
D0N0ES
INTEDE ID
DR2115
ACDINA ID
D00466

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Diacylglycerol O-acyltransferase 2 (DGAT2) TTRHEQ4 DGAT2_HUMAN Inhibitor [1]
Nicotinic acid receptor (HCAR2) TTWNV8U HCAR2_HUMAN Agonist [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cyclic ADP-ribose hydrolase 1 (CD38)
Main DME 		DEGF70S CD38_HUMAN Substrate [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Vitamin B3 (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [18]
Bedaquiline DM3906J Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [19]
Pexidartinib DMS2J0Z Major Increased risk of hepatotoxicity by the combination of Vitamin B3 and Pexidartinib. Bone/articular cartilage neoplasm [2F7B] [20]
Cannabidiol DM0659E Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Cannabidiol. Epileptic encephalopathy [8A62] [21]
Sulfinpyrazone DMEV954 Minor Antagonize the effect of Vitamin B3 when combined with Sulfinpyrazone. Gout [FA25] [22]
Brentuximab vedotin DMWLC57 Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Brentuximab vedotin. Hodgkin lymphoma [2B30] [23]
Mipomersen DMGSRN1 Major Increased risk of hepatotoxicity by the combination of Vitamin B3 and Mipomersen. Hyper-lipoproteinaemia [5C80] [24]
Teriflunomide DMQ2FKJ Major Increased risk of hepatotoxicity by the combination of Vitamin B3 and Teriflunomide. Hyper-lipoproteinaemia [5C80] [25]
BMS-201038 DMQTAGO Major Increased risk of hepatotoxicity by the combination of Vitamin B3 and BMS-201038. Hyper-lipoproteinaemia [5C80] [26]
Calaspargase pegol DMQZBXI Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [27]
Idelalisib DM602WT Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Idelalisib. Mature B-cell leukaemia [2A82] [28]
Clofarabine DMCVJ86 Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Clofarabine. Mature B-cell lymphoma [2A85] [29]
Leflunomide DMR8ONJ Major Increased risk of hepatotoxicity by the combination of Vitamin B3 and Leflunomide. Rheumatoid arthritis [FA20] [25]
Naltrexone DMUL45H Moderate Increased risk of hepatotoxicity by the combination of Vitamin B3 and Naltrexone. Substance abuse [6C40] [30]
⏷ Show the Full List of 14 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
FD&C blue no. 1 E00263 19700 Colorant
Riboflavin E00422 493570 Colorant
Sodium stearyl fumarate E00545 23665634 lubricant
Stearic acid E00079 5281 Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Sunset yellow FCF E00255 17730 Colorant
Carmellose sodium E00625 Not Available Disintegrant
Eisenoxyd E00585 56841934 Colorant
Ferric hydroxide oxide yellow E00539 23320441 Colorant
Glyceryl dibehenate E00537 22477175 Binding agent; Coating agent; Flavoring agent; Modified-release agent; Viscosity-controlling agent; lubricant
Magnesium stearate E00208 11177 lubricant
Polyethylene glycol 1000 E00647 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyethylene glycol 400 E00653 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyvinyl alcohol E00666 Not Available Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Saccharose E00091 5988 Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Silicon dioxide E00670 Not Available Anticaking agent; Opacifying agent; Viscosity-controlling agent
Soybean lecithin E00637 Not Available Other agent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
⏷ Show the Full List of 19 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Nicotinic acid 750 mg tablet 750 mg 24 HR Extended Release Oral Tablet Oral
Nicotinic acid 1000 mg tablet 1000 mg 24 HR Extended Release Oral Tablet Oral
Nicotinic acid 500 mg tablet 500 mg 24 HR Extended Release Oral Tablet Oral
Nicotinic acid 250 mg capsule 250 mg Extended Release Oral Capsule Oral
Nicotinic acid 500 mg capsule 500 mg Extended Release Oral Capsule Oral
Nicotinic acid 500 mg tablet 500 mg Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Hakozaki T, Minwalla L, Zhuang J, Chhoa M, Matsubara A, Miyamoto K, Greatens A, Hillebrand GG, Bissett DL, Boissy RE: The effect of niacinamide on reducing cutaneous pigmentation and suppression of melanosome transfer. Br J Dermatol. 2002 Jul;147(1):20-31.
2 Reiche I, Westphal S, Martens-Lobenhoffer J, Troger U, Luley C, Bode-Boger SM: Pharmacokinetics and dose recommendations of Niaspan(R) in chronic kidney disease and dialysis patients. Nephrol Dial Transplant. 2011 Jan;26(1):276-82. doi: 10.1093/ndt/gfq344. Epub 2010 Jun 17.
3 BDDCS applied to over 900 drugs
4 Plasma and urine pharmacokinetics of niacin and its metabolites from an extended-release niacin formulation. Int J Clin Pharmacol Ther. 2007 Aug;45(8):448-54. doi: 10.5414/cpp45448.
5 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6 ADP-ribosyl cyclase and CD38 catalyze the synthesis of a calcium-mobilizing metabolite from NADP. J Biol Chem. 1995 Dec 22;270(51):30327-33.
7 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
8 Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia. ACS Med Chem Lett. 2011 Nov 24;3(1):63-8.
9 GSK256073, a selective agonist of G-protein coupled receptor 109A (GPR109A) reduces serum glucose in subjects with type 2 diabetes mellitus. Diabetes Obes Metab. 2013 Nov;15(11):1013-21.
10 Niacin lipid efficacy is independent of both the niacin receptor GPR109A and free fatty acid suppression. Sci Transl Med. 2012 Aug 22;4(148):148ra115.
11 GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4472-4.
12 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
13 DOI: 10.1038/scibx.2010.313
14 Phenolic acids suppress adipocyte lipolysis via activation of the nicotinic acid receptor GPR109A (HM74a/PUMA-G). J Lipid Res. 2009 May;50(5):908-14.
15 Pyrazole derivatives as partial agonists for the nicotinic acid receptor. J Med Chem. 2003 Aug 28;46(18):3945-51.
16 2011 Pipeline of Arisaph Pharmaceuticals.
17 Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.
18 Cerner Multum, Inc. "Australian Product Information.".
19 Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
20 Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
21 Cerner Multum, Inc. "UK Summary of Product Characteristics.".
22 Gershon SL, Fox IH "Pharmacologic effects of nicotinic acid on human purine metabolism." J Lab Clin Med 84 (1974): 179-86. [PMID: 4367231]
23 Product Information. Adcetris (brentuximab vedotin). Seattle Genetics Inc, Bothell, WA.
24 Product Information. Kynamro (mipomersen). Genzyme Corporation, Cambridge, MA.
25 Canadian Pharmacists Association.
26 Product Information. Juxtapid (lomitapide). Aegerion Pharmaceuticals Inc, Cambridge, MA.
27 Al-Nawakil C, Willems L, Mauprivez C, et.al "Successful treatment of l-asparaginase-induced severe acute hepatotoxicity using mitochondrial cofactors." Leuk Lymphoma 55 (2014): 1670-4. [PMID: 24090500]
28 Product Information. Zydelig (idelalisib). Gilead Sciences, Foster City, CA.
29 Product Information. Clolar (clofarabine). sanofi-aventis, Bridgewater, NJ.
30 Product Information. ReVia (naltrexone). DuPont Pharmaceuticals, Wilmington, DE.