NITROGLYCERIN

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Trade Names
Synonyms
Status
Molecule Category UNKNOWN
UNII G59M7S0WS3
EPA CompTox DTXSID1021407

Structure

InChI Key SNIOPGDIGTZGOP-UHFFFAOYSA-N
Smiles O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3O9
Molecular Weight 227.09
AlogP -1.02
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 157.11
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Bioactivity

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR Wikipedia Wikipedia Wikipedia Wikipedia FDA
Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit alpha-2
Organism : Homo sapiens
P33402 ENSG00000152402
Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit alpha-1
Organism : Homo sapiens
Q02108 ENSG00000164116
Protein: Soluble guanylate cyclase
Description: Guanylate cyclase soluble subunit beta-1
Organism : Homo sapiens
Q02153 ENSG00000061918
Assay Description Organism Bioactivity Reference
Vasorelaxation activity in the isolated endothelium-denuded rabbit aorta Oryctolagus cuniculus 16.0 nM
Capacity to increase [Ca2+] entry into the vascular smooth muscle was evaluated on rat aorta strips partially depolarized with 50 mM K Rattus norvegicus 22.0 nM
Relaxation of endothelium denucleated strips of rat aorta precontracted with noradrenaline Rattus norvegicus 22.4 nM
In vitro vascular relaxation in canine coronary arteries precontracted with prostaglandin F2alpha. Canis lupus familiaris 10.0 nM
In vitro vascular relaxation in canine mesenteric veins precontracted with phenylephrine. Canis lupus familiaris 7.0 nM
Vasodilatory effect in pig pulmonary artery assessed as inhibition of PGF2-alpha-induced contraction Sus scrofa 35.6 nM
Vasorelaxant activity in pig pulmonary artery by organ bath experiment Sus scrofa 27.0 nM
Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring assessed as inhibition of phenylephrine-induced contraction Rattus norvegicus 29.0 nM
Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring assessed as inhibition of phenylephrine-induced contraction drug treated 30 mins after ALDH2 inhibitor benomyl treatment Rattus norvegicus 420.0 nM
Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring assessed as inhibition of phenylephrine-induced contraction drug treated 30 mins after ALDH2 inhibitor chloral hydrate treatment Rattus norvegicus 940.0 nM
Vasorelaxant activity in endothelium-denuded Wistar rat thoracic aortic ring assessed as inhibition of KCl-induced contraction Rattus norvegicus 58.88 nM
Vasorelaxation activity against KCl-induced contraction in isolated Wistar rat thoracic endothelium-denulated aortic rings Rattus norvegicus 125.89 nM
Vasorelaxant activity in Wistar rat endothelium-removed thoracic aortic rings assessed as reduction of KCl-induced vasoconstriction treated after KCl-challenge Rattus norvegicus 125.89 nM
Vasorelaxant activity in normal Chinchilla rabbit saphenous artery ring administered at the beginning of the last resting period of 28 mins Oryctolagus cuniculus 1.9 nM
Vasorelaxant activity in nirate-tolerant Chinchilla rabbit saphenous artery ring administered at the beginning of the last resting period of 28 mins in presence of sorbide dinitrate Oryctolagus cuniculus 9.6 nM

Cross References

Resources Reference
ChEBI 28787
ChEMBL CHEMBL730
DrugBank DB00727
DrugCentral 1952
FDA SRS G59M7S0WS3
Human Metabolome Database HMDB0014865
Guide to Pharmacology 7053
KEGG C07455
PDB TNG
PharmGKB PA450644
PubChem 4510
SureChEMBL SCHEMBL15421
ZINC ZINC000008214625
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