Identification
- Summary
Nicotinamide is an ingredient found in a variety of cosmetic products.
- Brand Names
- Alertonic, Fortaplex, Infuvite, Infuvite Pediatric, Mvc-fluoride, Mvi Pediatric, Natafort, Neo-bex, Nicomide, Pregvit, Tandem Plus
- Generic Name
- Nicotinamide
- DrugBank Accession Number
- DB02701
- Background
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.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
Structure for Nicotinamide (DB02701)
- Weight
- Average: 122.1246
Monoisotopic: 122.048012824 - Chemical Formula
- C6H6N2O
- Synonyms
- 3-pyridinecarboxamide
- Niacinamide
- Nicotinamida
- Nicotinamide
- Nicotinamidum
- Nicotinic acid amide
- Nicotinic amide
- β-pyridinecarboxamide
- External IDs
- NSC-13128
- NSC-27452
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used as adjunct in combination to treat Gastrointestinal insufficiency Combination Product in combination with: Cyanocobalamin (DB00115), Thiamine (DB00152), Folic acid (DB00158) ••• ••• ••••• Used as adjunct in combination to treat Hepatic insufficiency Combination Product in combination with: Folic acid (DB00158), Thiamine (DB00152), Cyanocobalamin (DB00115) ••• ••• ••••• Used in combination to treat Macrocytic anemia Combination Product in combination with: Cyanocobalamin (DB00115), Thiamine (DB00152), Folic acid (DB00158) ••• ••• ••••• Used in combination to treat Secondary anemia Combination Product in combination with: Folic acid (DB00158), Cyanocobalamin (DB00115), Thiamine (DB00152) ••• ••• ••••• Used in combination to prevent Vitamin deficiency •••••••••••• ••••••••• - Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AADP-ribosyl cyclase 2 product ofHumans AExotoxin A product ofPseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) UNAD-dependent protein deacylase sirtuin-5, mitochondrial Not Available Humans UL-lactate dehydrogenase A chain Not Available Humans UPoly [ADP-ribose] polymerase 1 binderHumans - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
Pathway Category Nicotinate and Nicotinamide Metabolism Metabolic - Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Nicotinamide hydrochloride 4D16EOF1QW 25334-23-0 OBLVPWTUALCMGD-UHFFFAOYSA-N - Active Moieties
Name Kind UNII CAS InChI Key Niacin unknown 2679MF687A 59-67-6 PVNIIMVLHYAWGP-UHFFFAOYSA-N - Product Images
- Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Niacinamide Inj 100mg/ml Liquid 100 mg / mL Intramuscular; Intravenous Kripps Pharmacy Ltd. 1979-12-31 Not applicable Canada 
- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image A.H.C. C-cream Cream 1 g/50mL Topical Carver Korea Co.,Ltd 2013-07-05 2018-12-01 US 
A.H.C. C-serum Cream .6 g/30mL Topical Carver Korea Co.,Ltd 2013-07-05 2018-12-01 US A.H.C. C-toner Liquid 2.4 g/120mL Topical Carver Korea Co.,Ltd 2013-07-05 2018-12-01 US AAPE Continuous Renewal Mask Patch 0.60 g/30mL Topical Prostemics Co., Ltd. 2019-08-01 Not applicable US AAPE Nutrient Facial Toner Liquid 2.60 g/130mL Topical Prostemics Co., Ltd. 2019-08-01 Not applicable US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image 50 Plus Multiple Vitamins & Minerals Nicotinamide (40 mg) + Ascorbic acid (90 mg) + Biotin (45 mcg) + Calcium (200 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Magnesium (100 mg) + Manganese (5 mg) + Molybdenum (25 mcg) + Pantothenic acid (10 mg) + Potassium Iodide (0.15 mg) + Pyridoxine hydrochloride (3 mg) + Riboflavin (3.2 mg) + Selenium (25 mcg) + Thiamine mononitrate (2.25 mg) + Vanadium (10 mcg) + Vitamin A palmitate (6000 unit) + Zinc (15 mg) Tablet Oral Gfr Pharma Ltd. 2002-10-20 2004-06-15 Canada 574H Cell Care Nicotinamide (0.9 g/300mL) + Biotin (0.18 g/300mL) + Panthenol (1.5 g/300mL) + Pyrithione zinc (3.0 g/300mL) Shampoo Topical Celino Inc. 2020-06-01 Not applicable US A.H.c Cotton 100 Mask Multi Peptide Nicotinamide (0.05 g/25mL) + Adenosine (0.01 g/25mL) + Allantoin (0.025 g/25mL) Patch Topical Carver Korea Co.,Ltd. 2017-09-20 2018-12-01 US A.H.c Cotton 100 Mask Skin Ceramide Nicotinamide (0.05 g/25mL) + Adenosine (0.01 g/25mL) + Allantoin (0.025 g/25mL) Patch Topical Carver Korea Co.,Ltd. 2017-09-05 2018-12-01 US A.H.c Cotton 100 Mask Soy Isoflavone Nicotinamide (0.05 g/25mL) + Adenosine (0.01 g/25mL) + Allantoin (0.025 g/25mL) Patch Topical Carver Korea Co.,Ltd. 2017-09-14 2018-12-01 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image 011010 Niacinamide 4% / Tretinoin 0.025% Nicotinamide (4 g/100g) + Tretinoin (0.025 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011013 Niacinamide 4% / Tretinoin 0.025% Nicotinamide (4 g/100g) + Tretinoin (0.025 g/100g) Cream Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011020 Niacinamide 4% / Tretinoin 0.05% Nicotinamide (4 g/100g) + Tretinoin (0.05 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011021 Niacinamide 4% / Tretinoin 0.05% Nicotinamide (4 g/100g) + Tretinoin (0.05 g/100g) Cream Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011054 Niacinamide 4% / Spironolactone 5% Nicotinamide (4 g/100g) + Spironolactone (5 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US
Categories
- ATC Codes
- A11HA01 — Nicotinamide
- Drug Categories
- Alimentary Tract and Metabolism
- Cytochrome P-450 CYP2D6 Inhibitors
- Cytochrome P-450 CYP2D6 Inhibitors (strength unknown)
- Cytochrome P-450 CYP2E1 Inhibitors
- Cytochrome P-450 CYP2E1 Inhibitors (strength unknown)
- Cytochrome P-450 CYP2E1 Substrates
- Cytochrome P-450 CYP3A Inhibitors
- Cytochrome P-450 CYP3A4 Inhibitors
- Cytochrome P-450 CYP3A4 Inhibitors (strength unknown)
- Cytochrome P-450 Enzyme Inhibitors
- Cytochrome P-450 Substrates
- Micronutrients
- Nicotinic Acids
- Pyridines
- Vitamin B Complex
- Vitamins
- Chemical TaxonomyProvided by Classyfire
- 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
- Aromatic heteromonocyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Nicotinamide / Organic nitrogen compound / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyridine alkaloid, pyridinecarboxamide (CHEBI:17154) / Water-soluble vitamins, Pyridine alkaloids (C00153) / a vitamin, an aliphatic amide (NIACINAMIDE)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 25X51I8RD4
- CAS number
- 98-92-0
- 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
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
- HMDB0001406
- KEGG Drug
- D00036
- KEGG Compound
- C00153
- PubChem Compound
- 936
- PubChem Substance
- 46507386
- ChemSpider
- 911
- BindingDB
- 27507
- 7405
- ChEBI
- 17154
- ChEMBL
- CHEMBL1140
- ZINC
- ZINC000000005878
- Therapeutic Targets Database
- DAP001410
- PDBe Ligand
- NCA
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Nicotinamide
- PDB Entries
- 1dma / 1isi / 1ism / 1r15 / 1yc2 / 1yc5 / 2a15 / 2c8a / 2e5d / 2h4j … show 60 more
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 4 Completed Treatment Acne Vulgaris 1 4 Completed Treatment Acute Schizophrenia 1 4 Completed Treatment Diabetic Macular Edema (DME) 1 4 Completed Treatment Diabetic Peripheral Neuropathic Pain (DPN) 1 4 Completed Treatment Hyperemesis Gravidarum / Morning Sickness / Nausea / Pregnancy / Vomiting 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical .6 g/30mL Patch Topical 0.60 g/30mL Liquid Topical 2.60 g/130mL Liquid Topical 0.12 g/6mL Soap Topical Liquid Topical 0.6 g/30g Cream Topical 0.6 g/50mL Liquid Topical 60 mg/30mL Liquid Topical 2 g/100mL Cream Topical 1.10 g/55g Cream Topical 2 g/100mL Patch Topical 0.40 g/20g Patch Topical 0.5 g/25g Patch Topical 2.0 g/100mL Kit; liquid; powder Topical Solution Intravenous 1.914 mg Liquid Dental Cream Topical 3.5 g/50mL Cream Topical 0.02 g/55mL Tablet, delayed release Oral Tablet Oral 40.000 mg Tablet, coated Cream Topical 2 mL/100mL Powder, for solution Intramuscular; Intravenous Powder, for solution Intravenous Suspension Topical Solution Parenteral 5.000 g Liquid Topical 2 mg/100mL Granule Oral Patch Topical 0.5 mg/25mL Shampoo Topical Patch Topical 0.50 g/20g Liquid Topical 1.00 g/50mL Solution Topical Liquid Topical 2 g/50mL Liquid Topical 0.3 g/100mL Liquid Topical 0.18 g/6mL Liquid Topical 0.06 g/3mL Liquid Topical 0.09 g/3mL Liquid Topical 2.6 g/130mL Liquid Topical 2.4 g/120mL Patch Topical 0.46 g/31 Gel Topical 0.3 g/21 Solution Topical 0.05 g/51 Injection, powder, for solution Intramuscular; Intravenous Injection, powder, for solution Parenteral Injection, powder, for solution Intravenous Cream Topical 0.4 g/20mL Liquid Topical 3.20 g/160mL Emulsion Topical 2.8 g/140mL Cream Topical 30 mg/1mL Cream Topical 30 mg/1g Solution Intramuscular Tablet, coated Oral 50 mg Solution Topical 0.1 g/5mL Shampoo Topical 0.001 g/1mL Patch Topical 0.46 g/23mL Syrup Oral Capsule, coated Oral Liquid Topical 0.11 g/5mL Tablet Capsule Liquid Vaginal 3 g/100mL Liquid Topical 20 g/100mL Solution Topical 5 mg/1mL Solution Topical 10 mg/1mL Capsule Cutaneous; Oral Shampoo Topical 1.08 g/360g Shampoo Topical 1.2 mg/400mL Liquid Topical 2 g/100g Patch Topical 0.6 mg/51 Solution Topical 0.1 mg/201 Shampoo Topical 0.51 mg/510mL Cream Topical 1 g/50mL Cream Topical 2.14 g/100g Kit Topical Emulsion Topical 2.0 g/100mL Liquid Oral Liquid Topical 4 g/100mL Cream Topical 0.3 g/100mL Tablet, sugar coated Oral 200 mg Lozenge Oral Capsule, liquid filled; kit; tablet Oral Liquid Topical 3.60 g/180mL Liquid Intramuscular; Intravenous Patch Topical 0.44 g/22g Patch Topical 0.54 g/27g Gel Oral Cream Topical 1.20 g/60mL Capsule, delayed release Oral Emulsion Topical 2.4 mg/120mL Solution / drops Topical Liquid Topical 2.4 mg/120mL Cream Topical 2 g/50g Tablet, extended release Oral Solution Topical 2.85 mg/150mL Patch Topical 0.59 g/27g Liquid Topical 2.0 g/100mL Cream Topical 1.0 g/50g Spray Topical Solution Intravenous Tablet, coated Oral 150 mcg Gel Topical Tablet, coated Oral Kit; liquid; spray Topical Cream Topical 1.00 g/50mL Lotion Topical 2.40 g/120g Powder Oral Gel Topical 2 g/1mL Cream Topical 2 g/1mL Liquid Topical 4.0 mg/200mL Liquid Topical 0.001 g/100mL Patch Topical 0.54 g/27mL Patch Topical 0.50 g/25mL Liquid Topical 3.00 g/150mL Patch Topical 0.002 g/25mL Emulsion Topical 2.60 g/130mL Tablet, effervescent Oral Patch Topical 2.7 mg/100mg Tablet Vaginal Liquid Topical 0.6 g/30mL Lotion Topical Injection Intramuscular Injection, solution, concentrate; kit Intravenous Injection, powder, lyophilized, for solution Intravenous Kit Intravenous Cream Topical 0.2 mg/10g Cream Topical 4.6 mg/23mL Cream Topical 0.06 g/3g Cream Topical 0.012 g/30g Cream Topical 2.8 g/140mL Cream Topical 1.4 g/70g Emulsion Topical 2.6 g/130mL Liquid Topical 0.6 mg/120mL Lotion Topical 0.075 g/150g Patch Topical 0.6 g/101 Elixir Oral Gel Topical 5 mg/100mL Tablet, chewable Oral Solution Oral Tablet, sugar coated Oral Patch Topical 0.4 g/20g Liquid Intravenous Solution Parenteral Capsule Oral Cream Topical Solution Intramuscular; Intravenous Gel Topical 0.16 g/160g Capsule, gelatin coated; kit; tablet Oral Gel Topical Capsule Oral 500 mg Ointment Topical Tablet Oral 500 mg / tab Tablet, extended release Oral 500 mg / tab Liquid Intramuscular; Intravenous 100 mg / mL Tablet Oral 100 mg / tab Tablet Oral 100 mg Tablet Oral 500 mg Tablet Oral 50 mg / tab Tablet Oral Cream Topical 0.54 g/27g Liquid Topical 0.03 g/1.5mL Capsule, liquid filled; kit; tablet, film coated Oral Cream Topical 2 g/100g Powder Liquid Topical Patch Topical Liquid Topical 5 g/100mL Injection, solution; kit Intravenous Injection, solution Intravenous Suspension / drops Oral Solution / drops Oral Capsule, liquid filled; kit; tablet, coated Oral Tablet, film coated Oral Emulsion Topical Pill Oral Gel Topical 0.02 1/120mL Gel Topical 0.01 g/100mL Lotion Topical 2.0 g/100g Cream Topical 1.2 g/60mL Liquid Topical 3.2 g/160mL Tablet Oral Capsule, liquid filled Oral Oil Topical Solution Topical 0.4 mg/20mL Lotion Topical 2 g/100mL Cream Topical 1.0 mg/50mL Cream Topical 0.5 mg/25mL Syrup Capsule; kit; tablet, coated Oral Patch Topical 2.1 g/100g Cream Topical 0.3 mg/15mL Patch Topical 0.56 g/28g Patch Topical 0.20 g/10g Cream Topical 0.1 g/100g Lotion Topical 2 g/100g Gel Topical 2 g/100g Injection, powder, for solution Intravenous 100 mg Liquid Topical 0.02 mL/1mL Liquid; tablet Oral Capsule, extended release Oral Cream Topical 1.1 g/55mL Cream Topical 1 g/100mL Emulsion Topical 1 g/100mL Gel Topical 1.0 g/50mL Emulsion Topical 2 g/100mL Cream Topical 0.15 g/30g Capsule; liquid Oral Powder, for solution Oral Liquid Topical 3.0 g/150mL Cream Topical 0.6 g/30g Capsule; kit; tablet, film coated Oral Shampoo Topical 0.3 g/100mL Pellet Topical 0.3 g/100g Cream Topical 1 g/50g Cream Topical 1.2 g/60g Patch Topical 0.5 g/25mL Cream Topical 1 mg/50mL Cream Topical 1.0 g/50mL Cream Topical 0.7 g/35mL Cream Topical 2.4 g/120mL Cream Topical 0.4 mg/20mL Cream Topical 0.9 mg/45mL Capsule; kit; tablet Oral Injection, powder, lyophilized, for solution Intramuscular; Intravenous Liquid Topical 0.4 mg/20mL Capsule Oral 500 mg / cap Powder Topical Injection Intramuscular; Intravenous Injection Intravenous Injection, solution Intramuscular; Intravenous Kit Oral Capsule, gelatin coated Oral Cream Topical 1.5 g/75g Liquid Topical 1 g/50mL Emulsion Topical 2.80 g/140mL Gel Topical 2.0 g/100mL Liquid Topical 2.80 g/140mL Cream Topical 3.0 g/150mL Emulsion Topical 3.0 g/150mL Cream Topical 2.0 g/40mL Liquid Topical 3 g/100mL Tablet Oral 250 mg Solution Tablet Oral 200 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 130 °C PhysProp boiling point (°C) 157 °C at 5.00E-04 mm Hg PhysProp water solubility 5E+005 mg/L (at 25 °C) MERCK INDEX (1996) logP -0.37 HANSCH,C ET AL. (1995) logS 0.61 ADME Research, USCD pKa 3.35 (at 20 °C) PERRIN,DD (1965) - Predicted Properties
Property Value Source logP -0.39 Chemaxon pKa (Strongest Acidic) 13.39 Chemaxon pKa (Strongest Basic) 3.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.98 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 32.98 m3·mol-1 Chemaxon Polarizability 11.71 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9831 Blood Brain Barrier + 0.9911 Caco-2 permeable + 0.8077 P-glycoprotein substrate Non-substrate 0.8778 P-glycoprotein inhibitor I Non-inhibitor 0.9816 P-glycoprotein inhibitor II Non-inhibitor 0.9955 Renal organic cation transporter Non-inhibitor 0.8727 CYP450 2C9 substrate Non-substrate 0.8702 CYP450 2D6 substrate Non-substrate 0.8913 CYP450 3A4 substrate Non-substrate 0.7653 CYP450 1A2 substrate Non-inhibitor 0.832 CYP450 2C9 inhibitor Non-inhibitor 0.9339 CYP450 2D6 inhibitor Non-inhibitor 0.9399 CYP450 2C19 inhibitor Non-inhibitor 0.9523 CYP450 3A4 inhibitor Non-inhibitor 0.9274 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.943 Ames test Non AMES toxic 0.9483 Carcinogenicity Non-carcinogens 0.9097 Biodegradation Not ready biodegradable 0.7807 Rat acute toxicity 1.5739 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9947 hERG inhibition (predictor II) Non-inhibitor 0.9581
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 121.1559518 predictedDarkChem Lite v0.1.0 [M-H]- 121.1329518 predictedDarkChem Lite v0.1.0 [M-H]- 121.0665518 predictedDarkChem Lite v0.1.0 [M-H]- 121.0038518 predictedDarkChem Lite v0.1.0 [M-H]- 121.1036518 predictedDarkChem Lite v0.1.0 [M-H]- 121.18718 predictedDeepCCS 1.0 (2019) [M-H]- 121.1559518 predictedDarkChem Lite v0.1.0 [M-H]- 121.1329518 predictedDarkChem Lite v0.1.0 [M-H]- 121.0665518 predictedDarkChem Lite v0.1.0 [M-H]- 121.0038518 predictedDarkChem Lite v0.1.0 [M-H]- 121.1036518 predictedDarkChem Lite v0.1.0 [M-H]- 121.18718 predictedDeepCCS 1.0 (2019) [M+H]+ 121.8414518 predictedDarkChem Lite v0.1.0 [M+H]+ 130.9472335 predictedDarkChem Standard v0.1.0 [M+H]+ 121.8251518 predictedDarkChem Lite v0.1.0 [M+H]+ 121.9464518 predictedDarkChem Lite v0.1.0 [M+H]+ 121.8520518 predictedDarkChem Lite v0.1.0 [M+H]+ 124.45892 predictedDeepCCS 1.0 (2019) [M+H]+ 121.8414518 predictedDarkChem Lite v0.1.0 [M+H]+ 130.9472335 predictedDarkChem Standard v0.1.0 [M+H]+ 121.8251518 predictedDarkChem Lite v0.1.0 [M+H]+ 121.9464518 predictedDarkChem Lite v0.1.0 [M+H]+ 121.8520518 predictedDarkChem Lite v0.1.0 [M+H]+ 124.45892 predictedDeepCCS 1.0 (2019) [M+Na]+ 121.1551518 predictedDarkChem Lite v0.1.0 [M+Na]+ 120.9614518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.4993518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.2750518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.1734518 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.2383 predictedDeepCCS 1.0 (2019) [M+Na]+ 121.1551518 predictedDarkChem Lite v0.1.0 [M+Na]+ 120.9614518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.4993518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.2750518 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.1734518 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.2383 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Product of
- 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
- Moreschi I, Bruzzone S, Melone L, De Flora A, Zocchi E: NAADP+ synthesis from cADPRP and nicotinic acid by ADP-ribosyl cyclases. Biochem Biophys Res Commun. 2006 Jun 30;345(2):573-80. Epub 2006 Apr 27. [Article]
- Ferrero E, Malavasi F: Human CD38, a leukocyte receptor and ectoenzyme, is a member of a novel eukaryotic gene family of nicotinamide adenine dinucleotide+-converting enzymes: extensive structural homology with the genes for murine bone marrow stromal cell antigen 1 and aplysian ADP-ribosyl cyclase. J Immunol. 1997 Oct 15;159(8):3858-65. [Article]
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Yes
- Actions
- Product of
- 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
- Li M, Dyda F, Benhar I, Pastan I, Davies DR: Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation. Proc Natl Acad Sci U S A. 1996 Jul 9;93(14):6902-6. [Article]
- Pollack M: The role of exotoxin A in pseudomonas disease and immunity. Rev Infect Dis. 1983 Nov-Dec;5 Suppl 5:S979-84. doi: 10.1093/clinids/5.supplement_5.s979. [Article]
- Armstrong S, Merrill AR: Toward the elucidation of the catalytic mechanism of the mono-ADP-ribosyltransferase activity of Pseudomonas aeruginosa exotoxin A. Biochemistry. 2004 Jan 13;43(1):183-94. doi: 10.1021/bi034772u. [Article]
- Kind
- Protein
- Organism
- Humans
- 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
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- 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. [Article]
- Kind
- Protein
- Organism
- Humans
- 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
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- 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. [Article]
- Kind
- Protein
- Organism
- Humans
- 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
- Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [Article]
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- Curator comments
- Data supporting this enzyme action are limited to the results of 1 in vitro study. The clinical correlation of this enzyme action is unknown.
- 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
- Gaudineau C, Auclair K: Inhibition of human P450 enzymes by nicotinic acid and nicotinamide. Biochem Biophys Res Commun. 2004 May 7;317(3):950-6. doi: 10.1016/j.bbrc.2004.03.137. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- SubstrateInhibitor
- 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
- Gaudineau C, Auclair K: Inhibition of human P450 enzymes by nicotinic acid and nicotinamide. Biochem Biophys Res Commun. 2004 May 7;317(3):950-6. doi: 10.1016/j.bbrc.2004.03.137. [Article]
- Real AM, Hong S, Pissios P: Nicotinamide N-oxidation by CYP2E1 in human liver microsomes. Drug Metab Dispos. 2013 Mar;41(3):550-3. doi: 10.1124/dmd.112.049734. Epub 2012 Dec 21. [Article]
- Kind
- Protein
- Organism
- Humans
- 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
- Gaudineau C, Auclair K: Inhibition of human P450 enzymes by nicotinic acid and nicotinamide. Biochem Biophys Res Commun. 2004 May 7;317(3):950-6. doi: 10.1016/j.bbrc.2004.03.137. [Article]
- Zhou S, Yung Chan S, Cher Goh B, Chan E, Duan W, Huang M, McLeod HL: Mechanism-based inhibition of cytochrome P450 3A4 by therapeutic drugs. Clin Pharmacokinet. 2005;44(3):279-304. doi: 10.2165/00003088-200544030-00005. [Article]
Drug created at June 13, 2005 13:24 / Updated at February 20, 2024 23:55