Drug Details

General Information of the Drug (ID: DR1866)
Name
Nitroglycerin
Synonyms
nitroglycerin; Glyceryl trinitrate; Trinitroglycerin; Nitroglycerine; Nitroglycerol; Nitrostat; 55-63-0; Trinitroglycerol; Glycerol trinitrate; Nitro-dur; Minitran; Nitroderm; Nitroglyn; Nitronet; Nitrospan; Tridil; Transderm-nitro; Transderm Nitro; Epinitril; Lenitral; Natispray; Nitrocine; Nitrolan; Nitrolingual; Perlinganit; Susadrin; Sustonit; Trinitrin; Nitrong; Niong; Nitro-Bid; Nitroderm TTS; Angiolingual; Cordipatch; Corditrine; Klavikordal; Myoglycerin; Nitroglicerina; Nitroletten; Nitroplast; Nitrorectal; Nitroretard; Nitrostabilin; Nysconitrine; Perglottal; Rectogesic; Temponitrin; Trinitrosan; Adesitrin; Angibid; Angorin; Cardamist; Chitamite; Deponit; Glonoin; Glytrin; Millisrol; Niglycon; Nitrodisc; Nitrogard; Nitroglin; Nitrolowe; Nitromel; Nitromex; Nitromint; Percutol; Suscard; Trinalgon; Triniplas; Trinitrol; Vasoglyn; Myocon; Niglin; Nitora; NitroMist; Gilucor nitro; NitroCor; Soup; Blasting oil; Blasting gelatin; Glyceryl nitrate; Nitro-lent; Nitrozell retard; Transiderm-nitro; propane-1,2,3-triyl trinitrate; Coro-Nitro; Nitro-Span; Nitrine-TDC; Spirit of glonoin; Nitrolingual Spray; Glycerin trinitrate; Nitrogliceryna; Nitronal; Transderm-Nitro TTS; Glyceroltrinitraat; Propanetriol Trinitrate; 1,2,3-Propanetriol, trinitrate; 1,2,3-Propanetriyl nitrate; Glycerol, nitric acid triester; Rectiv; Nitroglycerin, spirits of; Spirit of trinitroglycerin; NG; Rcra waste number P081; SK-106N; Solution glyceryl trinitrate; 1,3-dinitrooxypropan-2-yl nitrate; Spirit of glyceryl trinitrate; 1,2,3-propanetrioltrinitrate; NK-843; Glycerol(trinitrate de); 1,2,3-Propanetriol, 1,2,3-trinitrate; NTG; UNII-G59M7S0WS3; Glycerol Nitric Acid Triester; 1,2,3-Propanetriol trinitrate; Gilustenon; Trinitrolong; Sustak; GTN; NitroBid; G59M7S0WS3; Aldonitrin; Cardiodisco; Colenitral; Discotrine; Glycerylnitrat; Lentonitrina; Nitrobukal; Nitrocerin; Nitrocontin; Nitropatch; Nitropercuten; Nitroperlinit; Nitropront; Nitroprontan; Plastranit; Ratiopharm; TNG; Trinipatch; Angiplex; Angonist; Buccard; Cardabid; Cardinit; Dauxona; Diafusor; DTXSID1021407; Glyceryl; Herwicard; Minitram; Mionitrat; Nitradisc; Nitroard; Nitrobaat; Nitroclyn; Nitrocot; Nitrodyl; Nitrolin; Nitropen; Nitroprol; Nitrorex; Nitrovis; Perganit; Polnitrin; Trinitron; Turicard; Vasolator; Vernies; Willong; Anglix; CHEBI:28787; Herzer; Myovin; Nirmin; Nitrek; Sustac; Nitrol Ointment; Trinitrina Erba; Nitradisc Pad; Nitro-Pflaster; Nitrobid Oint; Nitrong Retard; Niong Retard; Nitro Retard; Aquo-Trimitrosan; Nitro Rorer; Nitromack Retard; Nitromint Retard; Nitronal Aqueous; Nitro-Time; Nitrogard-SR; Mi-Trates; Nitradisc TTS; Nitriderm TTS; Nitro-Par; Top-Nitro; Nitrocine 5; Nitrodyl TTS; Nitromint Aerosol; Nitrong-SR; Deponit 5; Deponit-5; Neos nitro OPT; Nit-Ret; Nitroglycerin-ACC; Transderm-N TTS; Nitro Mack Retard; Nitro-M-Bid; Nitro-Mack Retard; Gepan Nitroglicerin; Nitro Dur TTS; Nitroderm TTS-5; GTN-Pohl; Nitroderm TTS Ext; Nitro-Dur 5; Nitrocontin Continus; Deponit TTS 5; Nitro-Gesanit Retard; Cellegesic; Deponit TTS 10; Nitro-Dur 10; Nitrocap; NitroQuick; NitroQuik; NITRO IV; Glycerintrinitrate; Percutol Oint.; Nitrong parenteral; NitrocapT.D.; Glycerine trinitrate; Nitroglycerin (NG); Corangin Nitrokapseln; Trinitroglicerina Fabra; Anogesic; Glonoinum; Gonitro; Minitro; Nitriderm; Nitroject; Vascana; Buccal; Nitrogliceryna [Polish]; Nitroglycerine [French]; Nitrol (pharmaceutical); Tridil sublin; Trinitrine Simple Laleuf; Nitroglicerina [Italian]; Nitroglicerina [Spanish]; Aquo-trinitrosan; Glycerintrinitrate [Czech]; Glyceroltrinitraat [Dutch]; Trinitrin Tablets; NITROLINGUAL PUMPSPRAY; Nitromist (TN); Minitran (TN); HSDB 30; SDM No. 17; Nitroglycerin in Dextrose 5%; Nitro-bid (TN); Nitro-dur (TN); CCRIS 4089; nitroglycerin ointment; Nitric acid triester of gylcerol; Transderm-nitro (TN); Glycerol(trinitrate de) [French]; Glycerol (trinitrate de) [French]; Glycerol (trinitrate de); EINECS 200-240-8; UN0143; UN1204; UN3064; UN3319; Nitroglycerin [USP:JAN]; RCRA waste no. P081; BRN 1802063; 2,3-dinitrooxypropyl nitrate; Nitrofortin; Nitrolande; Nitrosigma; Reminitrol; Solinitrina; Spirits of Nitroglycerin, (1 to 10%); Corangil; Nitrolar; Nitromed; Sutonit; Myocor; trans-nitro; Glonoine oil; Nitro mack; S.N.G.; 2,3-bis(nitrooxy)propyl nitrate; Glycerol-trinitrat; C01DA02; IMX-150; MQX-503; Nitro-PRN; MED-2002; Diluted nitroglycerin; Nitroglycerin tablets; SK-866; SK-878; UN0144; Nitroglycerin Injection; Spirits of nitroglycerin; Nitroglycerine, spirit of; 1,2,3-trinitrooxypropane; CHEMBL730; EC 200-240-8; Nitroglycerin (JP17/USP); 1,2,3-trinitroglycerin-d5; SCHEMBL15421; 4-01-00-02762 (Beilstein Handbook Reference); UN 0143 (Salt/Mix); UN 0144 (Salt/Mix); UN 1204 (Salt/Mix); BIDD:GT0142; Ex168; Nitroglycerin, liquid, not desensitized [Forbidden]; SDM No. 17 (Salt/Mix); SDM No. 27 (Salt/Mix); 1,2,3-Propanetriol trinatrate; 1,2,3-tris-nitryloxy-propane; GTPL7053; Trinitrate 1,2,3-propanetriol; Nitric acid triester of glycerol; HMS2094M15; ZINC8214625; c0061; AKOS030254238; Nitroglycerin, solution in alcohol with > 5% but not > 10% nitroglycerin; DB00727; Nitroglycerin, liquid, not desensitized; FT-0752897; C07455; D00515; 49060-EP2280014A2; 49060-EP2287168A2; 49060-EP2311823A1; 141831-EP2292593A2; Q162867; SR-01000944510; SR-01000944510-1; Nitroglycerin, solution in alcohol, with not >1% nitroglycerin; Nitroglycerin, solution in alcohol, with >1% but not >10% nitroglycerin; Nitroglycerin, solution in alcohol, with >1% but not >5% nitroglycerin; Nitroglycerin mixture with >2% but not >10% nitroglycerin, by mass, desensitized; Nitroglycerin, desensitized with not <40% non-volatile water insoluble phlegmatizer, by mass; 27906-99-6; Nitroglycerin 100 microg/mL in Acetonitrile. Short expiry date due to chemical nature of component(s); Nitroglycerin mixture with >2% but not >10% nitroglycerin, by mass, desensitized [UN3319] [Flammable solid]; Nitroglycerin, desensitized with not <40% non-volatile water insoluble phlegmatizer, by mass [UN0143] [Explosive 1.1D, Poison]; Nitroglycerin, solution in alcohol, with >1% but not >10% nitroglycerin [UN0144] [Explosive 1.1D]; Nitroglycerin, solution in alcohol, with >1% but not >5% nitroglycerin [UN3064] [Flammable liquid]; Nitroglycerin, solution in alcohol, with not >1% nitroglycerin [UN1204] [Flammable liquid]; Trinitroglycerin solution, 1 % (w/w) in propylene glycol, ampule of 1 mL, certified reference material; Trinitroglycerin solution, 1 % (w/w) in propylene glycol, ampule of 5 x 0.2 mL, certified reference material; Trinitroglycerin solution, 1000 mug/mL in acetonitrile, ampule of 1 mL, certified reference material
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Molecular Type
Small molecule
Disease Diabetic foot ulcer [ICD-11: BD54] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Clearance
The drug present in the plasma can be removed from the body at the rate of 194.3 mL/min/kg
Elimination
0.5% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 4.5 hours
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 1.6356 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.4%
Water Solubility
The ability of drug to dissolve in water is measured as 0.8 mg/mL
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C3H5N3O9
PubChem CID
4510
Canonical SMILES
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
InChI
1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChIKey
SNIOPGDIGTZGOP-UHFFFAOYSA-N
CAS Number
CAS 55-63-0
ChEBI ID
CHEBI:28787
TTD Drug ID
D07YDE
DrugBank ID
DB00727
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Khellin      Ammi visnaga     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Experimental
                    Result(s)		 Combination of khellin and nitroglycerin in the treatment of angina pectoris.
Target and Pathway
Target(s) Epidermal growth factor receptor (EGFR)  Molecule Info  [1]
Soluble guanylate cyclase (GCS)  Molecule Info  [3]
KEGG Pathway MAPK signaling pathway Click to Show/Hide
2 ErbB signaling pathway
3 Ras signaling pathway
4 Rap1 signaling pathway
5 Calcium signaling pathway
6 Cytokine-cytokine receptor interaction
7 HIF-1 signaling pathway
8 FoxO signaling pathway
9 Endocytosis
10 PI3K-Akt signaling pathway
11 Dorso-ventral axis formation
12 Focal adhesion
13 Adherens junction
14 Gap junction
15 Regulation of actin cytoskeleton
16 GnRH signaling pathway
17 Estrogen signaling pathway
18 Oxytocin signaling pathway
19 Epithelial cell signaling in Helicobacter pylori infection
20 Hepatitis C
21 Pathways in cancer
22 Proteoglycans in cancer
23 MicroRNAs in cancer
24 Pancreatic cancer
25 Endometrial cancer
26 Glioma
27 Prostate cancer
28 Melanoma
29 Bladder cancer
30 Non-small cell lung cancer
31 Central carbon metabolism in cancer
32 Choline metabolism in cancer
NetPath Pathway IL4 Signaling Pathway Click to Show/Hide
2 EGFR1 Signaling Pathway
Panther Pathway Cadherin signaling pathway Click to Show/Hide
2 EGF receptor signaling pathway
Pathway Interaction Database LPA receptor mediated events Click to Show/Hide
2 Signaling events mediated by PTP1B
3 Arf6 signaling events
4 Signaling events mediated by TCPTP
5 Thromboxane A2 receptor signaling
6 SHP2 signaling
7 Regulation of Telomerase
8 EGF receptor (ErbB1) signaling pathway
9 EGFR-dependent Endothelin signaling events
10 Posttranslational regulation of adherens junction stability and dissassembly
11 Direct p53 effectors
12 ErbB1 downstream signaling
13 Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
14 E-cadherin signaling in keratinocytes
15 ErbB receptor signaling network
16 Internalization of ErbB1
17 Stabilization and expansion of the E-cadherin adherens junction
18 a6b1 and a6b4 Integrin signaling
19 Syndecan-3-mediated signaling events
Reactome Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants Click to Show/Hide
2 SHC1 events in ERBB2 signaling
3 PLCG1 events in ERBB2 signaling
4 PIP3 activates AKT signaling
5 GRB2 events in EGFR signaling
6 GAB1 signalosome
7 SHC1 events in EGFR signaling
8 EGFR downregulation
9 GRB2 events in ERBB2 signaling
10 PI3K events in ERBB2 signaling
11 EGFR Transactivation by Gastrin
12 Constitutive Signaling by Aberrant PI3K in Cancer
13 Constitutive Signaling by EGFRvIII
14 RAF/MAP kinase cascade
WikiPathways ErbB Signaling Pathway Click to Show/Hide
2 Regulation of Actin Cytoskeleton
3 EGF/EGFR Signaling Pathway
4 MAPK Signaling Pathway
5 Focal Adhesion
6 Aryl Hydrocarbon Receptor Pathway
7 Extracellular vesicle-mediated signaling in recipient cells
8 TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer
9 Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
10 Bladder Cancer
11 Hair Follicle Development: Induction (Part 1 of 3)
12 Signaling by ERBB4
13 Signaling by ERBB2
14 Gastrin-CREB signalling pathway via PKC and MAPK
15 PIP3 activates AKT signaling
16 Nanoparticle-mediated activation of receptor signaling
17 Aryl Hydrocarbon Receptor
18 Spinal Cord Injury
19 Integrated Pancreatic Cancer Pathway
20 Gastric cancer network 2
21 AGE/RAGE pathway
22 Signaling Pathways in Glioblastoma
23 Arylhydrocarbon receptor (AhR) signaling pathway
24 miR-targeted genes in muscle cell - TarBase
25 miR-targeted genes in lymphocytes - TarBase
26 miR-targeted genes in epithelium - TarBase
27 Integrated Breast Cancer Pathway
28 Signaling by EGFR
29 L1CAM interactions
References
Reference 1 Emerging drugs for diabetic foot ulcers. Expert Opin Emerg Drugs. 2006 Nov;11(4):709-24.
Reference 2 [Combination of khellin and nitroglycerin in the treatment of angina pectoris]. Ther Umsch. 1957 Jan;14(1):19-21.
Reference 3 Activators of soluble guanylate cyclase for the treatment of male erectile dysfunction. Int J Impot Res. 2002 Feb;14(1):8-14.
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