Nitrate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Nitrate
- DrugBank Accession Number
- DB14049
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 62.0049
Monoisotopic: 61.987817871 - Chemical Formula
- NO3
- Synonyms
- Nitrate ion
- Nitrates
- External IDs
- N511
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ACarbonic anhydrase 2 inhibitorHumans ACarbonic anhydrase 1 inhibitorHumans - 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
- Not Available
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmiodarone Amiodarone may increase the vasodilatory activities of Nitrate. Amlodipine Amlodipine may increase the vasodilatory activities of Nitrate. Avanafil Avanafil may increase the hypotensive activities of Nitrate. Bepridil Bepridil may increase the vasodilatory activities of Nitrate. Carvedilol Carvedilol may increase the vasodilatory activities of Nitrate. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as non-metal nitrates. These are inorganic non-metallic compounds containing a nitrate as its largest oxoanion.
- Kingdom
- Inorganic compounds
- Super Class
- Homogeneous non-metal compounds
- Class
- Non-metal oxoanionic compounds
- Sub Class
- Non-metal nitrates
- Direct Parent
- Non-metal nitrates
- Alternative Parents
- Inorganic oxides
- Substituents
- Inorganic oxide / Non-metal nitrate
- Molecular Framework
- Not Available
- External Descriptors
- monovalent inorganic anion, nitrogen oxoanion, reactive nitrogen species (CHEBI:17632) / an anion (NITRATE)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T93E9Y2844
- CAS number
- 14797-55-8
- InChI Key
- NHNBFGGVMKEFGY-UHFFFAOYSA-N
- InChI
- InChI=1S/NO3/c2-1(3)4/q-1
- IUPAC Name
- nitrate
- SMILES
- [O-]N(=O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0002878
- ChemSpider
- 918
- BindingDB
- 26988
- 1546271
- ChEBI
- 17632
- ChEMBL
- CHEMBL186200
- PDBe Ligand
- NO3
- Wikipedia
- Nitrate
- PDB Entries
- 1a4c / 1azr / 1bg0 / 1can / 1ch8 / 1cib / 1dkk / 1e5y / 1e5z / 1e67 … show 919 more
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Completed Basic Science Retinal Hypoxia 1 somestatus stop reason just information to hide Not Available Completed Treatment Pulmonary Hypertension (PH) 1 somestatus stop reason just information to hide Not Available Recruiting Treatment Bronchoscopic Lung Volume Reduction 1 somestatus stop reason just information to hide Not Available Terminated Treatment Heart Failure 1 somestatus stop reason just information to hide Not Available Terminated Treatment Necrosis, Avascular, of Bone 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 0.84 Chemaxon pKa (Strongest Basic) -9.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.2 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 8.35 m3·mol-1 Chemaxon Polarizability 3.28 Å3 Chemaxon Number of Rings 0 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 106.43794 predictedDeepCCS 1.0 (2019) [M-H]- 106.43794 predictedDeepCCS 1.0 (2019) [M+H]+ 93.6225389 predictedDarkChem Lite v0.1.0 [M+H]+ 108.31851 predictedDeepCCS 1.0 (2019) [M+H]+ 93.6225389 predictedDarkChem Lite v0.1.0 [M+H]+ 108.31851 predictedDeepCCS 1.0 (2019) [M+Na]+ 94.0981389 predictedDarkChem Lite v0.1.0 [M+Na]+ 116.67768 predictedDeepCCS 1.0 (2019) [M+Na]+ 94.0981389 predictedDarkChem Lite v0.1.0 [M+Na]+ 116.67768 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsCarbonic anhydrase 2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the reversible hydration of carbon dioxide (PubMed:11327835, PubMed:11802772, PubMed:11831900, PubMed:12056894, PubMed:12171926, PubMed:1336460, PubMed:14736236, PubMed:15300855, PubMed:15453828, PubMed:15667203, PubMed:15865431, PubMed:16106378, PubMed:16214338, PubMed:16290146, PubMed:16686544, PubMed:16759856, PubMed:16807956, PubMed:17127057, PubMed:17251017, PubMed:17314045, PubMed:17330962, PubMed:17346964, PubMed:17540563, PubMed:17588751, PubMed:17705204, PubMed:18024029, PubMed:18162396, PubMed:18266323, PubMed:18374572, PubMed:18481843, PubMed:18618712, PubMed:18640037, PubMed:18942852, PubMed:1909891, PubMed:1910042, PubMed:19170619, PubMed:19186056, PubMed:19206230, PubMed:19520834, PubMed:19778001, PubMed:7761440, PubMed:7901850, PubMed:8218160, PubMed:8262987, PubMed:8399159, PubMed:8451242, PubMed:8485129, PubMed:8639494, PubMed:9265618, PubMed:9398308). Can also hydrate cyanamide to urea (PubMed:10550681, PubMed:11015219). Stimulates the chloride-bicarbonate exchange activity of SLC26A6 (PubMed:15990874). Essential for bone resorption and osteoclast differentiation (PubMed:15300855). Involved in the regulation of fluid secretion into the anterior chamber of the eye. Contributes to intracellular pH regulation in the duodenal upper villous epithelium during proton-coupled peptide absorption
- Specific Function
- arylesterase activity
- Gene Name
- CA2
- Uniprot ID
- P00918
- Uniprot Name
- Carbonic anhydrase 2
- Molecular Weight
- 29245.895 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsCarbonic anhydrase 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the reversible hydration of carbon dioxide (PubMed:10550681, PubMed:16506782, PubMed:16686544, PubMed:16807956, PubMed:17127057, PubMed:17314045, PubMed:17407288, PubMed:18618712, PubMed:19186056, PubMed:19206230). Can hydrate cyanamide to urea (PubMed:10550681)
- Specific Function
- arylesterase activity
- Gene Name
- CA1
- Uniprot ID
- P00915
- Uniprot Name
- Carbonic anhydrase 1
- Molecular Weight
- 28870.0 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at June 06, 2018 15:27 / Updated at August 26, 2024 19:22