NITROGLYCERIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
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
Number of Rotational Bond 8.0
Polar Surface Area 157.11
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR Wikipedia Wikipedia Wikipedia Wikipedia FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
7-10 - - - -
Oryctolagus cuniculus
- 1.9-16 - - -
Rattus norvegicus
22-940 58.88-125.89 - - -
Sus scrofa
27-35.6 - - - -

Target Conservation

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

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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