Nitrate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ACarbonic anhydrase 2
inhibitor
Humans
ACarbonic anhydrase 1
inhibitor
Humans
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
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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.
DrugInteraction
AmiodaroneAmiodarone may increase the vasodilatory activities of Nitrate.
AmlodipineAmlodipine may increase the vasodilatory activities of Nitrate.
AvanafilAvanafil may increase the hypotensive activities of Nitrate.
BepridilBepridil may increase the vasodilatory activities of Nitrate.
CarvedilolCarvedilol 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
Human Metabolome Database
HMDB0002878
ChemSpider
918
BindingDB
26988
RxNav
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
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
Not AvailableCompletedBasic ScienceRetinal Hypoxia1somestatusstop reasonjust information to hide
Not AvailableCompletedTreatmentPulmonary Hypertension (PH)1somestatusstop reasonjust information to hide
Not AvailableRecruitingTreatmentBronchoscopic Lung Volume Reduction1somestatusstop reasonjust information to hide
Not AvailableTerminatedTreatmentHeart Failure1somestatusstop reasonjust information to hide
Not AvailableTerminatedTreatmentNecrosis, Avascular, of Bone1somestatusstop reasonjust 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
PropertyValueSource
logP0.84Chemaxon
pKa (Strongest Basic)-9.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area66.2 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity8.35 m3·mol-1Chemaxon
Polarizability3.28 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
MS/MS Spectrum - Quattro_QQQ 10V, NegativeLC-MS/MSsplash10-03di-9000000000-62b6946f773f2794ce2b
MS/MS Spectrum - Quattro_QQQ 25V, NegativeLC-MS/MSsplash10-03dj-9000000000-b705d64f017cd9970bcb
MS/MS Spectrum - Quattro_QQQ 40V, NegativeLC-MS/MSsplash10-03di-9000000000-a03d650125e7c3c9631a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-106.43794
predicted
DeepCCS 1.0 (2019)
[M-H]-106.43794
predicted
DeepCCS 1.0 (2019)
[M+H]+93.6225389
predicted
DarkChem Lite v0.1.0
[M+H]+108.31851
predicted
DeepCCS 1.0 (2019)
[M+H]+93.6225389
predicted
DarkChem Lite v0.1.0
[M+H]+108.31851
predicted
DeepCCS 1.0 (2019)
[M+Na]+94.0981389
predicted
DarkChem Lite v0.1.0
[M+Na]+116.67768
predicted
DeepCCS 1.0 (2019)
[M+Na]+94.0981389
predicted
DarkChem Lite v0.1.0
[M+Na]+116.67768
predicted
DeepCCS 1.0 (2019)

Targets

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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
  1. 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]
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
  1. 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