Nicotinamide
Identification
- Name
- Nicotinamide
- Accession Number
- DB02701
- 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.
- 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
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Associated Conditions
- Associated Therapies
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism AExotoxin A product ofPseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) UL-lactate dehydrogenase A chain Not Available Humans UPoly [ADP-ribose] polymerase 1 binderHumans UNAD-dependent protein deacylase sirtuin-5, mitochondrial Not Available Humans AADP-ribosyl cyclase 2 product ofHumans - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
Pathway Category Nicotinate and Nicotinamide Metabolism Metabolic - Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- 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
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- 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 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 AAPE Skin Ampoule Liquid 0.12 g/6mL Topical Prostemics Co., Ltd. 2019-08-01 Not applicable US Ahc Premium Vital C Complex Cellulose Mask Patch 0.54 g/27mL Topical Carver Korea Co.,Ltd. 2017-05-12 2018-12-01 US AHC Revitalizing Special Gen Cream Cream 0.6 g/50mL Topical Carver Korea Co.,Ltd. 2013-07-15 2017-11-20 US AHC Vital C Complex Mask Liquid 0.6 g/30g Topical Carver Korea Co.,Ltd 2013-08-15 2018-12-01 US AHC Whitening Special Gen Cream Cream 0.6 g/50mL Topical Carver Korea Co.,Ltd. 2013-07-15 2017-11-04 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 A.H.c Cotton 100 Mask Triple Hyaluronic Nicotinamide (0.05 g/25mL) + Adenosine (0.01 g/25mL) + Allantoin (0.025 g/25mL) Patch Topical Carver Korea Co.,Ltd. 2017-09-20 2017-09-21 US A.H.c Cotton 100 Mask Triple Hyaluronic 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 AAPE Continuous Renewal Nicotinamide (1.00 g/50mL) + Adenosine (0.02 g/50mL) Cream Topical Prostemics Co., Ltd. 2019-08-01 Not applicable US AAPE Continuous Renewal Eye Nicotinamide (0.40 g/20mL) + Adenosine (0.008 g/20mL) Cream Topical Prostemics Co., Ltd. 2019-08-01 Not applicable US AAPE Continuous Renewal Serum Nicotinamide (0.80 g/40mL) + Adenosine (0.01 g/40mL) Liquid Topical Prostemics Co., Ltd. 2019-08-01 Not applicable 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 011218 Niacinamide 2% / Spironolactone 5% / Tretinoin 0.025% Nicotinamide (2 g/100g) + Spironolactone (5 g/100g) + Tretinoin (0.025 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011220 Niacinamide 2% / Spironolactone 5% / Tretinoin 0.05% Nicotinamide (2 g/100g) + Spironolactone (5 g/100g) + Tretinoin (0.05 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011312 Niacinamide 4% / Tazarotene 0.05% Nicotinamide (4 g/100g) + Tazarotene (0.05 g/100g) Cream Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011503 Dapsone 6% / Niacinamide 2% / Spironolactone 5% Nicotinamide (2 g/100g) + Dapsone (6 g/100g) + Spironolactone (5 g/100g) Gel Topical Sincerus Florida, LLC 2020-07-02 Not applicable US 011504 Dapsone 8.5% / Niacinamide 4% Nicotinamide (4 g/100g) + Dapsone (8.5 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
- Diet, Food, and Nutrition
- Food
- Growth Substances
- Micronutrients
- Nicotinic Acids
- Physiological Phenomena
- 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)
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
- AHFS Codes
- 88:08.00 — Vitamin B Complex
- PDB Entries
- 1dma / 1isi / 1ism / 1r15 / 1yc2 / 1yc5 / 2a15 / 2c8a / 2e5d / 2h4j … show 42 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Basic Science Hypoalphalipoproteinemias 1 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 / Pregnant State / Vomiting 1 4 Completed Treatment Hyperpigmentation 1 4 Completed Treatment Pain 1 4 Completed Treatment Pregnant State 1 4 Terminated Treatment Myocardial Stunning 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 Elixir Oral Capsule; liquid Oral Cream Topical 1.10 g/55g Cream Topical 2 g/100mL Tablet Oral 3 mg Tablet Oral 2 mcg Tablet, chewable Oral 5 mg Syrup Oral 10 mg/5ml Tablet Oral 1500 IU Capsule Oral 0.4 mg Syrup Oral 400 IU Syrup Oral 0.35 mg Patch Topical 0.40 g/20g Patch Topical 0.5 g/25g Capsule, liquid filled Oral 50 mg Cream Topical 3.5 g/50mL Tablet Oral 200 mcg Cream Topical 0.02 g/55mL Tablet, sugar coated Oral 2 mg Tablet, sugar coated Oral 50 mg Tablet, coated Oral 15 mg Syrup Oral 5 mg/5ml Capsule 15 mg Tablet, delayed release Oral 15 mg Solution 2.5 mg/ml Tablet, coated 25 mg Cream Topical 2 mL/100mL Tablet, film coated Oral 25 mg Injection, solution Intramuscular; Intravenous 25 mg/2mL Powder, for solution Intramuscular; Intravenous Powder, for solution Intravenous Suspension Topical Tablet, effervescent Oral 15 mg Granule Oral 50 mcg Liquid Topical 2 mg/100mL Tablet Oral 25 mg Capsule Oral 15 IU Tablet, film coated Oral 25 mcg Tablet Oral 4 mcg Granule Oral Patch Topical 0.5 mg/25mL Tablet Oral 8.5 mg Tablet Oral 7.5 mg Tablet Oral 582.5 IU Tablet Oral 10 mcg Capsule Oral 2 mcg Capsule Oral 400 mcg 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 Syrup Oral 270 mg 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 125 mg Injection, powder, for solution Parenteral 125 mg Injection, powder, for solution Intravenous 5.8 mg Cream Topical 0.4 g/20mL Liquid Topical 3.20 g/160mL Emulsion Topical 2.8 g/140mL Solution Oral 50 mg Tablet, chewable Oral 2 mcg Tablet, chewable Oral 0.5 mg Tablet, chewable Oral 1500 IU Tablet, chewable Oral 0.25 mg Tablet, chewable Oral 50 mg Tablet, coated Oral 35 mg Solution Intramuscular 60 mg Tablet, coated Oral 20 mg Elixir Oral 200 mg Granule Oral 250 mg Solution Intramuscular 50 mg Solution Parenteral 300 mg Syrup Oral 175 mg Tablet, coated Oral 50 mg Solution Intramuscular 300 mg Tablet, delayed release Oral 50 mg Solution Topical 0.1 g/5mL Syrup Oral 130 mg Shampoo Topical 0.001 g/1mL Patch Topical 0.46 g/23mL Syrup Oral 2000 IU/5ml Capsule, coated Oral Liquid Topical 0.11 g/5mL Tablet 4000 IU Capsule 4000 IU 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 Tablet Oral 10 mg Tablet Oral 1 mg Tablet Oral 0.1 mg Tablet, film coated Oral 500 IU Tablet, effervescent Oral Kit Topical Tablet, film coated Oral 125 mg Tablet Oral 4000 IU Liquid Oral Capsule Oral 10 mg Tablet Oral 50 mg Powder, for solution Intravenous 200 mg Injection, solution Intramuscular; Intravenous 1250 µg Injection, solution Intramuscular; Intravenous 2500 µg Capsule Oral 35 mg Liquid Topical 4 g/100mL Tablet Oral 15 mg Tablet, coated Oral 180 mg Syrup Oral 0.18 g Lozenge Oral Syrup Oral 12 mg/12g Liquid Topical 3.60 g/180mL Liquid Intramuscular; Intravenous Injection Intramuscular 38.2 mg Patch Topical 0.44 g/22g Patch Topical 0.54 g/27g Tablet Oral 6.5 mg Cream Topical 1.20 g/60mL Capsule, delayed release Oral 0.6 mg Capsule, gelatin coated Oral 40 mg Emulsion Topical 2.4 mg/120mL Solution / drops Topical Liquid Topical 2.4 mg/120mL Cream Topical 2 g/50g Tablet, delayed release Oral Tablet, extended release Oral 400 mcg Tablet Oral 18 mcg 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 Syrup Oral 0.3443 g Syrup Oral 1 g Solution Oral 444.4 mg Elixir Oral 195 mg Solution Intravenous 2.5 mg Capsule Oral 5 mg Tablet, coated Oral 150 mcg Gel Topical Capsule Oral 4 mg Tablet, film coated Oral 800 mcg Tablet, coated Oral 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 Tablet Oral 14 mg 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 Patch Topical 2.7 mg/100mg Syrup Oral 133 mg Tablet Oral 100 mg Capsule, liquid filled Oral 750 mcg Tablet Vaginal Liquid Topical 0.6 g/30mL Tablet Oral 300 mg Lotion Topical Injection Intramuscular Capsule Oral 6 mg Capsule Oral 300 mg Capsule Oral 500 mg 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 Tablet, film coated Oral 1200 mcg Syrup Oral 0.37 g Emulsion Topical 2.6 g/130mL Liquid Topical 0.6 mg/120mL Lotion Topical 0.075 g/150g Patch Topical 0.6 g/101 Capsule Oral 5000 IU Solution Intravenous Elixir Oral 1 mg/5ml Gel Topical 5 mg/100mL Tablet, chewable Oral Solution Intravenous 140 mcg Solution Oral Tablet, sugar coated Oral 1 mg Syrup Oral 2500 IU/5ml Injection, solution Intramuscular; Intravenous 2 mg Injection, solution Intramuscular; Intravenous 3.8 mg Capsule, liquid filled Oral 160 mg Patch Topical 0.4 g/20g Liquid Intravenous Capsule, liquid filled Oral 0.6 mg Cream Topical Powder, for solution Oral 20 mg Solution Intramuscular; Intravenous Gel Topical 0.16 g/160g Gel Topical 40 MG/GRAM Ointment Topical Tablet, extended release Oral Liquid Intramuscular; Intravenous Tablet Oral Tablet Oral 250 MG Cream Topical 0.54 g/27g Tablet, chewable Oral 200 mcg Liquid Oral 2500 IU/5ml Liquid Topical 0.03 g/1.5mL Capsule Oral 3000 IU Cream Topical 2 g/100g Tablet Oral 5 mg Powder Liquid Topical Capsule, delayed release Oral 70 mg Patch Topical Syrup Oral Injection, solution Intravenous Solution Oral 100 mg Capsule Oral 2000 IU Tablet Oral 1.5 mg Capsule Oral 2667 IU Capsule Oral 50 mcg Syrup Oral 150 mg Tablet, film coated Oral 15 mg Syrup Oral 1500 IU Suspension / drops Oral Solution / drops Oral Capsule Oral 4000 IU Tablet, film coated Oral Emulsion Topical Pill Oral Gel Topical 0.02 1/120mL Tablet Oral 0.5 mg Lotion Topical 2.0 g/100g Cream Topical 1.2 g/60mL Liquid Topical 3.2 g/160mL Syrup Oral 370 mg Tablet Oral Capsule Capsule, liquid filled Oral Oil Topical Solution Topical 0.4 mg/20mL Tablet Oral 5 mcg Lotion Topical 2 g/100mL Cream Topical 1.0 mg/50mL Cream Topical 0.5 mg/25mL Syrup 1250 IU Syrup 150 ml Capsule, liquid filled Oral 6 IU Syrup Oral 1.7 mg/10ml Capsule Oral 25 mg Patch Topical 2.1 g/100g Tablet, chewable Oral 15 IU Capsule Oral 1 mg Capsule Oral 12 mg Tablet, film coated Oral 100 mcg Powder, for solution Oral 421 mcg 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, solution Intravenous 3.1 mg Injection, powder, for solution Intravenous 60 µg Injection, powder, lyophilized, for solution Intravenous 400 mcg Solution 2.5 mg Liquid; tablet Oral Tablet Oral 40 mcg Liquid Topical 0.02 mL/1mL Syrup 2500 IU Tablet Oral 2 mg Capsule, extended release Oral Capsule Oral Cream Topical 1.1 g/55mL Cream Topical 1 g/100mL Emulsion Topical 1 g/100mL Emulsion Topical 2 g/100mL Tablet, extended release Oral Cream Topical 0.15 g/30g Powder, for solution Intramuscular; Intravenous 3500 IU Powder, for solution Oral 6.1 mg Liquid Topical 3.0 g/150mL Cream Topical 0.6 g/30g Injection Intravenous 1000 mg Shampoo Topical 0.3 g/100mL Pellet Topical 0.3 g/100g Capsule, liquid filled Oral 1 mg Powder, for solution Oral 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 Tablet 50 mg Syrup Oral 0.25 mg/5ml Cream Topical 0.4 mg/20mL Cream Topical 0.9 mg/45mL Injection, powder, lyophilized, for solution Intramuscular; Intravenous 3500 IU Solution Intravenous 5 g Syrup Oral 100 mg Injection, powder, for solution Parenteral 9.11 mg Capsule, liquid filled Oral 25 mg Capsule, liquid filled Oral 18.375 mg Liquid Topical 0.4 mg/20mL Syrup Oral 400 mg Capsule Oral Syrup Oral 1250 IU/5mL Powder Topical Tablet, chewable Oral 10 IU Capsule, gelatin coated Oral 0.5 mg Injection Intramuscular; Intravenous Injection Intravenous Injection, solution Intramuscular; Intravenous Syrup Oral 320 mg Kit Oral Tablet, chewable Oral 7.33 mg 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 200 mg Tablet, film coated Oral 200 mg Granule Oral 70 mcg Solution Tablet, sugar coated Oral - 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
Targets
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- 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. [PubMed:8692916]
- 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. [PubMed:6419320]
- 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. [PubMed:14705944]
- 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. [PubMed:17139284]
- 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]
- 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
- 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. [PubMed:11752352]
- 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. [PubMed:17139284]
- 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]
- 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
- 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. [PubMed:16690024]
- 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. [PubMed:9378973]
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. [PubMed:15081432]
- 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. [PubMed:15081432]
- 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. [PubMed:23418369]
- 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. [PubMed:15081432]
- 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. [PubMed:15762770]
Drug created on June 13, 2005 13:24 / Updated on February 24, 2021 19:34