Identification

Name
Nicotinamide
Accession Number
DB02701  (EXPT02307)
Type
Small Molecule
Groups
Approved
Description

An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. [PubChem]

Structure
Thumb
Synonyms
  • Niacinamide
  • Nicotinic amide
External IDs
NSC-13128 / NSC-27452
Product Ingredients
IngredientUNIICASInChI Key
Niacinamide hydrochloride4D16EOF1QW25334-23-0OBLVPWTUALCMGD-UHFFFAOYSA-N
Product Images
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Niacinamide Inj 100mg/mlLiquid100 mgIntramuscular; IntravenousKripps Pharmacy Ltd.1979-12-31Not applicableCanada
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
NiacinamideCapsule500 mgOralOrganika Health Products Inc.2001-10-012009-08-05Canada
Niacinamide 100 Mg TabletsTablet100 mgOralGeneral Nutrition Canada Inc.1997-04-182005-08-05Canada
Niacinamide 100mgTablet100 mgOralGreat Earth Companies, Inc.1998-08-252002-10-02Canada
Niacinamide 100mg USP - TabTablet100 mgOralJamieson Laboratories Ltd1997-09-162001-09-14Canada
Niacinamide 500 mgCapsule500 mgOralFlora Manufacturing And Distributing Ltd.2002-03-152004-08-04Canada
Niacinamide 500 Tab 500mgTablet500 mgOralNutri West Products Ltd.1993-12-311997-08-05Canada
Niacinamide 500mgTablet500 mgOralWn Pharmaceuticals Ltd.2002-04-152005-08-15Canada
Niacinamide 500mgTablet500 mgOralGreat Earth Companies, Inc.1998-08-252002-10-02Canada
Niacinamide 500mgTablet500 mgOralRx Vitamins Inc.1998-09-252007-10-25Canada
Niacinamide 500mg - TabTablet500 mgOralHealth Wise Nutrition Inc.1997-08-151998-08-25Canada
Unapproved/Other Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
A.H.C. C-creamCream1 g/50mLTopicalCarver Korea Co.,Ltd.2013-07-05Not applicableUs
A.H.C. C-serumCream.6 g/30mLTopicalCarver Korea Co.,Ltd.2013-07-05Not applicableUs
A.H.C. C-tonerLiquid2.4 g/120mLTopicalCarver Korea Co.,Ltd.2013-07-05Not applicableUs
Ahc Premium Vital C Complex Cellulose MaskPatch.54 g/27mLTopicalCarver Korea Co.,Ltd.2017-05-12Not applicableUs
AHC Revitalizing Special Gen CreamCream.6 g/50mLTopicalCarver Korea Co.,Ltd.2013-07-152017-11-22Us
AHC Vital C Complex MaskLiquid.6 g/30gTopicalCarver Korea Co.,Ltd.2013-08-15Not applicableUs
AHC Whitening Special Gen CreamCream.6 g/50mLTopicalCarver Korea Co.,Ltd.2013-07-152017-11-22Us
AHC Whitening Special Gen SerumLiquid60 mg/30mLTopicalCarver Korea Co.,Ltd.2013-07-152017-11-22Us
AHC Whitening Special Gen SolutionLiquid2.4 g/120mLTopicalCarver Korea Co.,Ltd.2013-07-102017-11-22Us
ALA-C Snail Cell Reparing EssenceLiquid2 g/100mLTopicalDaoomcostech.Co.Ltd.2015-09-03Not applicableUs
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
A.H.c Cotton 100 Mask Multi PeptideNicotinamide (.05 g/25mL) + Adenosine (.01 g/25mL) + Allantoin (.025 g/25mL)PatchTopicalCarver Korea Co.,Ltd.2017-09-20Not applicableUs
A.H.c Cotton 100 Mask Skin CeramideNicotinamide (.05 g/25mL) + Adenosine (.01 g/25mL) + Allantoin (.025 g/25mL)PatchTopicalCarver Korea Co.,Ltd.2017-09-05Not applicableUs
A.H.c Cotton 100 Mask Soy IsoflavoneNicotinamide (.05 g/25mL) + Adenosine (.01 g/25mL) + Allantoin (.025 g/25mL)PatchTopicalCarver Korea Co.,Ltd.2017-09-14Not applicableUs
A.H.c Cotton 100 Mask Triple HyaluronicNicotinamide (.05 g/25mL) + Adenosine (.01 g/25mL) + Allantoin (.025 g/25mL)PatchTopicalCarver Korea Co.,Ltd.2017-09-20Not applicableUs
Abalone Aqua Flood WaterNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-02-16Not applicableUs
ABALONE CrystalDouble EXNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-02-16Not applicableUs
Abalone Crystaldouble EX BbNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL) + Octinoxate (2 g/100mL) + Octocrylene (3 g/100mL) + Titanium dioxide (9.9 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-03-10Not applicableUs
Abalone Crystaldouble EX CcNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL) + Octinoxate (7 g/100mL) + Titanium dioxide (4.694 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-03-10Not applicableUs
Abalone Crystaldouble EX HommeNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-02-20Not applicableUs
ABALONE CrystalDouble EX SERUMNicotinamide (2 g/100mL) + Adenosine (.04 g/100mL)GelTopicalC&bcosmetic Co.,ltd.2017-02-16Not applicableUs
Categories
UNII
25X51I8RD4
CAS number
98-92-0
Weight
Average: 122.1246
Monoisotopic: 122.048012824
Chemical Formula
C6H6N2O
InChI Key
DFPAKSUCGFBDDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
IUPAC Name
pyridine-3-carboxamide
SMILES
NC(=O)C1=CC=CN=C1

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UNAD-dependent protein deacylase sirtuin-5, mitochondrialNot AvailableHuman
UADP-ribosyl cyclase 2Not AvailableHuman
UExotoxin ANot AvailablePseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
UL-lactate dehydrogenase A chainNot AvailableHuman
UPoly [ADP-ribose] polymerase 1
binder
Human
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
PathwayCategory
Nicotinate and Nicotinamide MetabolismMetabolic
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AtorvastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Atorvastatin.Approved
BosutinibThe serum concentration of Bosutinib can be increased when it is combined with Nicotinamide.Approved
BromocriptineThe risk or severity of adverse effects can be increased when Bromocriptine is combined with Nicotinamide.Approved, Investigational
CabergolineThe risk or severity of adverse effects can be increased when Cabergoline is combined with Nicotinamide.Approved
CerivastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Cerivastatin.Withdrawn
DihydroergocornineThe risk or severity of adverse effects can be increased when Dihydroergocornine is combined with Nicotinamide.Approved
DihydroergocristineThe risk or severity of adverse effects can be increased when Dihydroergocristine is combined with Nicotinamide.Experimental
DihydroergocryptineThe risk or severity of adverse effects can be increased when Dihydroergocryptine is combined with Nicotinamide.Experimental
DihydroergotamineThe risk or severity of adverse effects can be increased when Dihydroergotamine is combined with Nicotinamide.Approved
ErgonovineThe risk or severity of adverse effects can be increased when Ergonovine is combined with Nicotinamide.Approved
ErgotamineThe risk or severity of adverse effects can be increased when Ergotamine is combined with Nicotinamide.Approved
FesoterodineThe serum concentration of the active metabolites of Fesoterodine can be increased when Fesoterodine is used in combination with Nicotinamide.Approved
FluvastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Fluvastatin.Approved
LisurideThe risk or severity of adverse effects can be increased when Lisuride is combined with Nicotinamide.Approved, Investigational
LovastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Lovastatin.Approved, Investigational
Lysergic Acid DiethylamideThe risk or severity of adverse effects can be increased when Lysergic Acid Diethylamide is combined with Nicotinamide.Illicit, Investigational, Withdrawn
MetergolineThe risk or severity of adverse effects can be increased when Metergoline is combined with Nicotinamide.Experimental
MethylergometrineThe risk or severity of adverse effects can be increased when Methylergometrine is combined with Nicotinamide.Approved
MethysergideThe risk or severity of adverse effects can be increased when Methysergide is combined with Nicotinamide.Approved
MetoprololThe serum concentration of Metoprolol can be increased when it is combined with Nicotinamide.Approved, Investigational
MevastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Mevastatin.Experimental
NicergolineThe risk or severity of adverse effects can be increased when Nicergoline is combined with Nicotinamide.Approved, Investigational
PergolideThe risk or severity of adverse effects can be increased when Pergolide is combined with Nicotinamide.Approved, Investigational, Vet Approved, Withdrawn
PitavastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Pitavastatin.Approved
PravastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Pravastatin.Approved
RosuvastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Rosuvastatin.Approved
SimvastatinThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Simvastatin.Approved
TergurideThe risk or severity of adverse effects can be increased when Terguride is combined with Nicotinamide.Experimental
ThioridazineThe serum concentration of Thioridazine can be increased when it is combined with Nicotinamide.Approved, Withdrawn
UbidecarenoneThe risk or severity of adverse effects can be increased when Nicotinamide is combined with Ubidecarenone.Approved, Investigational, Nutraceutical
Food Interactions
Not Available

References

Synthesis Reference

Helmut Beschke, Heinz Friedrich, Klaus-Peter Muller, Gerd Schreyer, "Process for the production of nicotinamide." U.S. Patent US4314064, issued May, 1949.

US4314064
General References
Not Available
External Links
Human Metabolome Database
HMDB01406
KEGG Drug
D00036
KEGG Compound
C00153
PubChem Compound
936
PubChem Substance
46507386
ChemSpider
911
BindingDB
27507
ChEBI
17154
ChEMBL
CHEMBL1140
Therapeutic Targets Database
DAP001410
HET
NCA
Drugs.com
Drugs.com Drug Page
Wikipedia
Nicotinamide
ATC Codes
A11HA01 — Nicotinamide
AHFS Codes
  • 88:08.00 — Vitamin B Complex
PDB Entries
1dma / 1isi / 1ism / 1r15 / 1yc2 / 1yc5 / 2a15 / 2c8a / 2e5d / 2h4j
show 31 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedBasic ScienceBlood Pressures / Cognition1
1CompletedNot AvailableHuman Immunodeficiency Virus (HIV) Infections / Infection, Human Immunodeficiency Virus I / Mycobacterium avium complex infection1
1CompletedDiagnosticHealthy Volunteers1
1CompletedOtherHigh Blood Pressure (Hypertension) / Pregnancy associated hypertension / Superimposed Preeclampsia1
1CompletedPreventionHIV-infection/Aids1
1CompletedTreatmentCancers / Metastases1
1CompletedTreatmentHodgkins Disease (HD) / Non-Hodgkin's Lymphoma (NHL)1
1CompletedTreatmentHyperphosphataemia1
1Not Yet RecruitingBasic ScienceAging / Mineral deficiency / Vitamin Deficiency1
1, 2CompletedTreatmentAlzheimer's Disease (AD)1
1, 2CompletedTreatmentHyperphosphataemia1
1, 2SuspendedTreatmentSchizoaffective Disorders / Schizophrenic Disorders1
2Active Not RecruitingTreatmentCancer, Breast1
2Active Not RecruitingTreatmentNeurodegenerative Disorders1
2CompletedPreventionHuman Immunodeficiency Virus (HIV) Infections1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentChronic Kidney Disease (CKD) / Hemodialysis-dependent patients / Hyperphosphataemia1
2CompletedTreatmentHealthy Volunteers1
2CompletedTreatmentTiredness1
2RecruitingTreatmentAlzheimer's Disease (AD) / Mild Cognitive Impairment (MCI)1
2RecruitingTreatmentCutaneous Lupus Erythematosus (CLE) / Systemic lupus erythematosus rash1
2RecruitingTreatmentHuman Immunodeficiency Virus (HIV) Infections / Kidney Diseases1
2, 3CompletedTreatmentCardiovascular Disease (CVD) / Chronic Kidney Disease (CKD) / Mortality1
2, 3RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
3Active Not RecruitingOtherChronic Kidney Disease (CKD)1
3CompletedPreventionComplications, Pregnancy / Human Immunodeficiency Virus (HIV) Infections1
3CompletedTreatmentAnemias1
3CompletedTreatmentDiabetic Autonomic Neuropathy1
3CompletedTreatmentDiarrheal Illnesses / Growth Faltering / Respiratory Illness1
3CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Tuberculosis, Pulmonary1
3CompletedTreatmentHydatidiform Mole1
3TerminatedTreatmentChronic Renal Failure (CRF) / Hemodialysis-dependent patients1
3Unknown StatusNot AvailableAnemias / Low Birth Weight / Neonatal Mortality1
3Unknown StatusTreatmentAlzheimer's Disease (AD) / Down Syndrome (DS)1
4CompletedTreatmentAcute Schizophrenia1
4CompletedTreatmentDiabetic Peripheral Neuropathic Pain1
4CompletedTreatmentHyperemesis Gravidarum / Morning Sickness / Nausea / Pregnancy / Vomiting1
4CompletedTreatmentHyperpigmentation1
4CompletedTreatmentPregnancy1
4RecruitingTreatmentHuman Immunodeficiency Virus (HIV) Infections1
4WithdrawnTreatmentNephritis / Proteinuria / Systemic Lupus Erythematosus (SLE)1
Not AvailableActive Not RecruitingTreatmentChronic Infection / Human Immunodeficiency Virus (HIV)1
Not AvailableCompletedNot AvailableHuman Immunodeficiency Virus (HIV) Infections1
Not AvailableCompletedPreventionNeural Tube Defects (NTDs)1
Not AvailableCompletedSupportive CareNeoplasms, Breast / Neoplasms, Lung1
Not AvailableCompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
Not AvailableRecruitingTreatmentTemporomandibular Joint Disorders1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
CreamTopical1 g/50mL
CreamTopical.6 g/30mL
LiquidTopical2.4 g/120mL
PatchTopical.54 g/27mL
CreamTopical.6 g/50mL
LiquidTopical.6 g/30g
LiquidTopical60 mg/30mL
LiquidTopical2 g/100mL
CreamTopical1.1 g/55g
PatchTopical.4 g/20g
ElixirOral
Tablet, extended releaseOral
InjectionIntramuscular
Injection, solutionIntramuscular; Intravenous
CreamTopical3.5 g/50mL
CreamTopical.02 g/55mL
CreamTopical2 mL/100mL
Powder, for solutionIntramuscular; Intravenous
Powder, for solutionIntravenous
LiquidTopical2 mg/100mL
GranuleOral
PatchTopical.5 mg/25mL
LiquidTopical2 g/50mL
LiquidTopical.3 g/100mL
PowderOral
EmulsionTopical3 g/150mL
LiquidTopical3 g/150mL
PatchTopical.46 g/31
GelTopical.3 g/21
SolutionTopical.05 g/51
CreamTopical.4 g/20mL
LiquidTopical3.2 g/160mL
EmulsionTopical2.8 g/140mL
SolutionTopical.1 g/5mL
PatchTopical.46 g/23mL
ShampooTopical1.08 g/360g
ShampooTopical1.2 mg/400mL
LiquidTopical2 g/100g
PatchTopical.6 mg/51
SolutionTopical.1 mg/201
ShampooTopical.51 mg/510mL
KitTopical
CreamTopical2.14 g/100g
KitTopical
CreamTopical2 g/100mL
PatchTopical.5 g/25g
Tablet, effervescentOral
Kit
Capsule, gelatin coatedOral
LiquidIntramuscular; Intravenous
PatchTopical.44 g/22g
CreamTopical1.2 g/60mL
EmulsionTopical2.4 mg/120mL
Solution / dropsTopical
LiquidTopical2.4 mg/120mL
CreamTopical2 g/50g
SolutionTopical2.85 mg/150mL
PatchTopical.59 g/27g
PatchTopical.5 g/25mL
GelTopical
LiquidTopical4 mg/200mL
Tablet, chewableOral
LotionTopical
LiquidIntravenous
Injection, powder, lyophilized, for solutionIntravenous
PatchTopical
CreamTopical.2 mg/10g
CreamTopical4.6 mg/23mL
CreamTopical.06 g/3g
CreamTopical.6 g/30g
CreamTopical.012 g/30g
CreamTopical2.8 g/140mL
CreamTopical1.4 g/70g
EmulsionTopical2.6 g/130mL
LiquidTopical2.6 g/130mL
PatchTopical.6 g/101
Liquid; tabletOral
GelTopical5 mg/100mL
Solution / dropsOral
LiquidOral
Injection, solution, concentrateIntravenous
SolutionIntravenous
SolutionOral
SolutionIntramuscular; Intravenous
SprayTopical
GelTopical.16 g/160g
TabletOral500 mg
Tablet, extended releaseOral500 mg
LiquidIntramuscular; Intravenous100 mg
TabletOral100 mg
TabletOral50 mg
CreamTopical.54 g/27g
SyrupOral
Injection, solutionIntravenous
Capsule, liquid filledOral
TabletOral
ShampooTopical
Tablet, coatedOral
EmulsionTopical
GelTopical.02 1/120mL
OilTopical
SolutionTopical.4 mg/20mL
SolutionTopical
CreamTopical.5 mg/25mL
PatchTopical2.1 g/100g
LiquidTopical
CreamTopical.3 mg/15mL
PatchTopical.2 g/10g
CreamTopical
CreamTopical2 g/100g
CreamTopical.1 g/100g
LotionTopical2 g/100g
GelTopical2 g/100g
LiquidTopical.02 mL/mL
KitOral
Capsule, extended releaseOral
CapsuleOral
CreamTopical1.1 g/55mL
Capsule; liquidOral
ShampooTopical.3 mL/100mL
LiquidTopical.3 mL/100mL
PelletTopical.3 g/100g
CreamTopical1 g/50g
CreamTopical1.2 g/60g
CreamTopical1 mg/50mL
CreamTopical.7 g/35mL
CreamTopical2.4 g/120mL
CreamTopical.4 mg/20mL
CreamTopical.9 mg/45mL
LozengeOral
LiquidTopical.4 mg/20mL
CapsuleOral500 mg
PowderTopical
InjectionIntramuscular; Intravenous
InjectionIntravenous
Tablet, film coatedOral
CreamTopical1.5 g/75g
LiquidTopical1 g/50mL
GelTopical2 g/100mL
LiquidTopical2.8 g/140mL
CreamTopical3 g/150mL
CreamTopical2 g/40mL
LiquidTopical3 g/100mL
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)130 °CPhysProp
boiling point (°C)157 °C at 5.00E-04 mm HgPhysProp
water solubility5E+005 mg/L (at 25 °C)MERCK INDEX (1996)
logP-0.37HANSCH,C ET AL. (1995)
logS0.61ADME Research, USCD
pKa3.35 (at 20 °C)PERRIN,DD (1965)
Predicted Properties
PropertyValueSource
Water Solubility50.1 mg/mLALOGPS
logP-0.45ALOGPS
logP-0.39ChemAxon
logS-0.39ALOGPS
pKa (Strongest Acidic)13.39ChemAxon
pKa (Strongest Basic)3.63ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.98 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity32.98 m3·mol-1ChemAxon
Polarizability11.71 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9831
Blood Brain Barrier+0.9911
Caco-2 permeable+0.8077
P-glycoprotein substrateNon-substrate0.8778
P-glycoprotein inhibitor INon-inhibitor0.9816
P-glycoprotein inhibitor IINon-inhibitor0.9955
Renal organic cation transporterNon-inhibitor0.8727
CYP450 2C9 substrateNon-substrate0.8702
CYP450 2D6 substrateNon-substrate0.8913
CYP450 3A4 substrateNon-substrate0.7653
CYP450 1A2 substrateNon-inhibitor0.832
CYP450 2C9 inhibitorNon-inhibitor0.9339
CYP450 2D6 inhibitorNon-inhibitor0.9399
CYP450 2C19 inhibitorNon-inhibitor0.9523
CYP450 3A4 inhibitorNon-inhibitor0.9274
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.943
Ames testNon AMES toxic0.9483
CarcinogenicityNon-carcinogens0.9097
BiodegradationNot ready biodegradable0.7807
Rat acute toxicity1.5739 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9947
hERG inhibition (predictor II)Non-inhibitor0.9581
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS)GC-MSsplash10-004i-0900000000-acb6a21304b0c09c8472
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-004r-0900000000-ce86dcff0153b66dd538
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS)GC-MSsplash10-004i-9500000000-790385e574240b8d39de
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0udi-2910000000-d760b65bb76d6464038e
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-004i-4900000000-47c6f72d1bb5465c1376
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0kor-9800000000-1809e537780b814af0c9
GC-MS Spectrum - EI-BGC-MSsplash10-0kor-9800000000-c4a5ff5285417499eff8
GC-MS Spectrum - EI-BGC-MSsplash10-004i-0900000000-0e84a60cc2a2d44704f4
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-004i-0900000000-acb6a21304b0c09c8472
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-004r-0900000000-ce86dcff0153b66dd538
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-004i-9500000000-790385e574240b8d39de
GC-MS Spectrum - GC-MSGC-MSsplash10-0udi-2910000000-d760b65bb76d6464038e
GC-MS Spectrum - GC-MSGC-MSsplash10-004i-4900000000-47c6f72d1bb5465c1376
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-004i-0900000000-23a567506bfbc259e77c
Mass Spectrum (Electron Ionization)MSsplash10-0kor-9600000000-2b1c5667d92bc1b80b36
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-00di-2900000000-72a7c92eb2667f5b6c3f
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-001i-9000000000-6486d230a4a2fd4bab0e
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-001i-9000000000-6486d230a4a2fd4bab0e
MS/MS Spectrum - EI-B (HITACHI M-80) , PositiveLC-MS/MSsplash10-0kor-9800000000-89d56b6cb7e033699d24
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, PositiveLC-MS/MSsplash10-00di-0900000000-eed71abbb10ba926c13d
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, PositiveLC-MS/MSsplash10-00di-3900000000-0c62aa6aba6e23b6c195
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, PositiveLC-MS/MSsplash10-001i-9100000000-4357a8833611d1756c59
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, PositiveLC-MS/MSsplash10-001i-9000000000-c9685717817d0081fe6d
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, PositiveLC-MS/MSsplash10-0fc0-9000000000-ec0ccca306f38cf72a78
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-00di-4900000000-f6d71a6c467f84ddd6ab
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, PositiveLC-MS/MSsplash10-001i-9100000000-62c4bd312efbfa37d1a1
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-00di-4900000000-05714b528dc84942b9db
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, PositiveLC-MS/MSsplash10-001i-9100000000-edb6a77c0dfdcbdacc5d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-2c7ec333d35eb740520a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-9600000000-466f98885e2efba73575
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-9200000000-6ef8d7e5edcdd0b02758
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-1900000000-f38177aa475e58941088
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fr-9800000000-6a883d82fcd7c450f6ce
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-882d0c59d946a5087b9f
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-0900000000-eed71abbb10ba926c13d
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-3900000000-0c62aa6aba6e23b6c195
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-001i-9100000000-4357a8833611d1756c59
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-001i-9000000000-c9685717817d0081fe6d
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0fc0-9000000000-ec0ccca306f38cf72a78
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-00di-0900000000-960acce7ead55399b5db
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-4900000000-f6d71a6c467f84ddd6ab
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-001i-9100000000-ecd545b7ad8ecb3879d2
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-4900000000-05714b528dc84942b9db
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-001i-9100000000-edb6a77c0dfdcbdacc5d
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-0900000000-b52f4a92a2f9e7d5d4b7
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridinecarboxylic acids and derivatives
Direct Parent
Nicotinamides
Alternative Parents
Heteroaromatic compounds / Primary carboxylic acid amides / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Nicotinamide / Heteroaromatic compound / Primary carboxylic acid amide / Carboxamide group / Azacycle / Carboxylic acid derivative / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyridine alkaloid, pyridinecarboxamide (CHEBI:17154) / Water-soluble vitamins, Pyridine alkaloids (C00153) / a vitamin, an aliphatic amide (NIACINAMIDE)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
NAD-dependent lysine demalonylase, desuccinylase and deglutarylase that specifically removes malonyl, succinyl and glutaryl groups on target proteins (PubMed:21908771, PubMed:22076378, PubMed:24703...
Gene Name
SIRT5
Uniprot ID
Q9NXA8
Uniprot Name
NAD-dependent protein deacylase sirtuin-5, mitochondrial
Molecular Weight
33880.605 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transferase activity
Specific Function
Synthesizes the second messagers cyclic ADP-ribose and nicotinate-adenine dinucleotide phosphate, the former a second messenger that elicits calcium release from intracellular stores. May be involv...
Gene Name
BST1
Uniprot ID
Q10588
Uniprot Name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2
Molecular Weight
35723.545 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
Pharmacological action
Unknown
General Function
Nad+-diphthamide adp-ribosyltransferase activity
Specific Function
An NAD-dependent ADP-ribosyltransferase (ADPRT). Catalyzes the transfer of the ADP ribosyl moiety of oxidized NAD (NAD(+)) onto eukaryotic elongation factor 2 (eEF-2) thus arresting protein synthes...
Gene Name
eta
Uniprot ID
P11439
Uniprot Name
Exotoxin A
Molecular Weight
69283.345 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Nad binding
Specific Function
Not Available
Gene Name
LDHA
Uniprot ID
P00338
Uniprot Name
L-lactate dehydrogenase A chain
Molecular Weight
36688.465 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Binder
General Function
Zinc ion binding
Specific Function
Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This ...
Gene Name
PARP1
Uniprot ID
P09874
Uniprot Name
Poly [ADP-ribose] polymerase 1
Molecular Weight
113082.945 Da
References
  1. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352]

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Steroid hydroxylase activity
Specific Function
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic...
Gene Name
CYP2D6
Uniprot ID
P10635
Uniprot Name
Cytochrome P450 2D6
Molecular Weight
55768.94 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Steroid hydroxylase activity
Specific Function
Metabolizes several precarcinogens, drugs, and solvents to reactive metabolites. Inactivates a number of drugs and xenobiotics and also bioactivates many xenobiotic substrates to their hepatotoxic ...
Gene Name
CYP2E1
Uniprot ID
P05181
Uniprot Name
Cytochrome P450 2E1
Molecular Weight
56848.42 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256]

Drug created on June 13, 2005 07:24 / Updated on December 10, 2017 17:18