Hydroxyurea (CED0001725)

Record Information
Version1.0
Creation Date2014-09-11 05:15:44 UTC
Update Date2026-08-26 00:16:30 UTC
SynCED IDCED0001725
Secondary Accession Numbers
  • CHEM003724
  • T3D4767
Identification
Common NameHydroxyurea
ClassSmall Molecule
Description
Hydroxyurea is an exogenous organic compound with the formula CH4N2O2 and an average molecular weight of 76.05 g/mol. It exists as a solid at room temperature. Hydroxyurea belongs to the carboximidic acids and derivatives, a class of organic acids and derivatives within the organic compounds. This compound is recorded as being found in or released from 13 sources, including healthcare, pharmaceuticals & veterinary products as an antineoplastic agent; food, food processing & cookware, specifically processing meats, food preservation, and fermentation processes for beer; household cleaning & consumer products, including soap detergents, perfumes within detergents and soaps, tobacco smoke filters, and other smoking requisites; and electrical & electronic equipment, such as electrodes, hybrid capacitors, electric switches, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. The recorded exposure route is oral. Hydroxyurea acts on three recorded protein targets: the ribonucleoside-diphosphate reductase subunit M2 (RRM2), the ribonucleoside-diphosphate reductase large subunit (RRM1), and the oxysterols receptor LXR-alpha (NR1H3), of which it is a modulator. As an antineoplastic agent, it is used as a treatment for cancer (PMC3539408 ) and stroke (PMC11919821 ).
Contaminant Type
  • Amine
  • Antineoplastic Agent
  • Antisickling Agent
  • Drug
  • Enzyme Inhibitor
  • Human Neurotoxin
  • Metabolite
  • Nucleic Acid Synthesis Inhibitor
  • Organic Compound
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
Carbamohydroxamic acidChEBI
Carbamohydroximic acidChEBI
Carbamoyl oximeChEBI
Carbamyl hydroxamateChEBI
HidroxicarbamidaChEBI
HydreaChEBI
HydroxycarbamidChEBI
HydroxycarbamideChEBI
HydroxycarbamidumChEBI
HydroxyharnstoffChEBI
N-CarbamoylhydroxylamineChEBI
N-HYDROXYUREAChEBI
OxyureaChEBI
DroxiaKegg
CarbamohydroxamateGenerator
CarbamohydroximateGenerator
Carbamyl hydroxamic acidGenerator
Carbamohydroxyamic acidHMDB
HUHMDB
HydroxicarbamidumHMDB
HydroxycarbamineHMDB
HydroxylureaHMDB
IdrossicarbamideHMDB
OncocarbideHMDB
Chemical FormulaCH4N2O2
Average Molecular Mass76.055 g/mol
Monoisotopic Mass76.027 g/mol
CAS Registry Number127-07-1
IUPAC Namehydroxyurea
Traditional Namehydroxyurea
SMILESNC(=O)NO
InChI IdentifierInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChI KeyVSNHCAURESNICA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboximidic acids and derivatives. Carboximidic acids and derivatives are compounds containing a carboximidic group, with the general formula R-C(=NR1)OR2.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboximidic acids and derivatives
Sub ClassNot Available
Direct ParentCarboximidic acids and derivatives
Alternative Parents
Substituents
  • Carboximidic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Imine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point133-136°C
Boiling PointNot Available
Solubility1E+006 mg/L (at 25°C)
Predicted Properties
PropertyValueSource
Water Solubility269 g/LALOGPS
logP-1.8ALOGPS
logP-1.4ChemAxon
logS0.55ALOGPS
pKa (Strongest Acidic)10.14ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area75.35 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity14.91 m³·mol⁻¹ChemAxon
Polarizability5.94 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0059-3950000000-0418fbb00ea645e9e0ceNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0059-3950000000-0418fbb00ea645e9e0ceNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0920000000-be691e1a11d76d687cc5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0006-9000000000-725178d2fb4e3ae0a710Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-9000000000-15e079ef519fdae75dabNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-9000000000-f39d1396b2b03d5846c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-9000000000-b5fb6577ca88b375ebeaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-6093ebde62cb84552dd0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-5f85466dc663205c60f9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-9000000000-fb233b42b45077d2475dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06tf-9000000000-868a329446e04867fc56Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-6245f3456e3558782716Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-722afb6d05d2ca0794f5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-f6792fcc64ed7bdb2466Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-fbd92a2a1457de08f558Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01r6-9000000000-ff7708ba70751a23d1ebNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-fd9f25340762315b4515Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-90726b17dc36e29c5299Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-90726b17dc36e29c5299Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-90726b17dc36e29c5299Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5569.0 Log mg/kg [3100:9900]RatLD50oralpredictedNot AvailableNot Available
10.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
8.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
50.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
1.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
3.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
7.0 mg/L RatNOECenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityHydroxyurea is converted to a free radical nitroxide (NO) in vivo, and transported by diffusion into cells where it quenches the tyrosyl free radical at the active site of the M2 protein subunit of ribonucleotide reductase, inactivating the enzyme. The entire replicase complex, including ribonucleotide reductase, is inactivated and DNA synthesis is selectively inhibited, producing cell death in S phase and synchronization of the fraction of cells that survive. Repair of DNA damaged by chemicals or irradiation is also inhibited by hydroxyurea, offering potential synergy between hydroxyurea and radiation or alkylating agents. Hydroxyurea also increases the level of fetal hemoglobin, leading to a reduction in the incidence of vasoocclusive crises in sickle cell anemia. Levels of fetal hemoglobin increase in response to activation of soluble guanylyl cyclase (sGC) by hydroxyurea-derived NO. Oral, mouse: LD50 = 7330 mg/kg; Oral, rat: LD50 = 5760 mg/kg
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (1)
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
cancerNot AvailableNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC3539408 , PMC9031226
cancerHas Therapeutic Effect OnNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC10685228
Alzheimer's diseaseAssociated With?decreaseA neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.PMC10761490
anemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by a reduction in the amount of hemoglobin in 100 ml of blood. Signs and symptoms of anemia may include pallor of the skin and mucous membranes, shortness of breath, palpitations of the heart, soft systolic murmurs, lethargy, and fatigability. (NCI CTCAE)PMC13194658
strokeNot AvailableNot AvailableNot AvailablePMC11919821 , PMC8219494
painHas Therapeutic Effect OnNot AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC8219494
neuropathyAssociated With?Not AvailableA nervous system disease that is located in nerves or nerve cells. (do).PMC7123643
thalassemiaNot AvailableNot AvailableNot AvailablePMC8932593
pancreatitisAssociated With?Not AvailableNot AvailablePMC7123643
myositisAssociated With?Not AvailableNot AvailablePMC5090024
Abnormality of mitochondrial metabolismAssociated With?increaseNot AvailablePMC10685228
Abnormality of mitochondrial metabolismAssociated With?Not AvailableNot AvailablePMC10761490
liver failureAssociated With?Not AvailableNot AvailablePMC7123643
Endoplasmic Reticulum StressAssociated With?Not AvailableNot AvailablePMC10761490
DNA DamageAssociated With?Not AvailableNot AvailablePMC6282196
Genomic InstabilityAssociated With?Not AvailableNot AvailablePMC10560291
DNA FragmentationAssociated With?increaseNot AvailablePMC12926718
sickle cell diseaseNot AvailableNot AvailableNot AvailablePMC2117764 , PMC8219494
ThromboembolismHas Therapeutic Effect OnNot AvailableNot AvailablePMC8475734
MeningiomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC7215596
Increased total leukocyte countHas Therapeutic Effect OnNot AvailableNot AvailablePMC11896359
Translocation, GeneticAssociated With?Not AvailableNot AvailablePMC10560291
sickle cell anemiaNot AvailableNot AvailableNot AvailablePMC8932593
myeloproliferative neoplasmNot AvailableNot AvailableNot AvailablePMC3915540
Chromosome breakageAssociated With?Not AvailableNot AvailablePMC4352882
Chromosome FragilityAssociated With?Not AvailableNot AvailablePMC4352882
acute chest syndromeHas Therapeutic Effect OnNot AvailableNot AvailablePMC8219494
Sickle Cell TraitHas Therapeutic Effect OnNot AvailableNot AvailablePMC13406642
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000358Antineoplastic agents?Antineoplastic agents are a class of synthetic chemicals used primarily in the treatment of cancer.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000635Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000732Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01080CapsuleHealthcare, pharmaceuticals & veterinary productsPMC9231814 , PMC9231814
CEDs01108SyringesHealthcare, pharmaceuticals & veterinary productsPMC9231814 , PMC9231814
CEDs01798BottlePackagingPMC9231814
CEDs01857Amber Glass BottlesPackagingPMC9231814
CEDs02255WaterAquatic systems & sedimentsPMC3172902
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.316
Statistical Significance
0.214
Supporting Reference Compounds
553
E-value
1665.82
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.316
Statistical Significance
0.2743
Supporting Reference Compounds
497
E-value
2135.4
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.316
Statistical Significance
0.1976
Supporting Reference Compounds
307
E-value
1538.3
Histone deacetylase 5 structureClick to view 3D structureHistone deacetylase 5Q9UQL6HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.316
Statistical Significance
0.1312
Supporting Reference Compounds
172
E-value
1021.23
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.316
Statistical Significance
0.2096
Supporting Reference Compounds
257
E-value
1631.56
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.316
Statistical Significance
0.2726
Supporting Reference Compounds
317
E-value
2121.86
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.24 Low confidence
Statistical Significance
0.3255
Supporting Reference Compounds
185
E-value
2534.23
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.24 Low confidence
Statistical Significance
0.2901
Supporting Reference Compounds
148
E-value
2258.72
Histone deacetylase 9 structureClick to view 3D structureHistone deacetylase 9Q9UKV0HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.24 Low confidence
Statistical Significance
0.2919
Supporting Reference Compounds
126
E-value
2272.73
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4808
Supporting Reference Compounds
372
E-value
3742.68
Protective antigen structureClick to view 3D structureProtective antigenP13423Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.04
Supporting Reference Compounds
1
E-value
311.319
Click to view 3D structureS-ribosylhomocysteine lyaseP45578Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
10.6653
Click to view 3D structureS-ribosylhomocysteine lyaseQ9Z5X1Vibrio campbelliiPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
10.6653
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
7.10e-04
Supporting Reference Compounds
1
E-value
5.52729
Triosephosphate isomerase structureClick to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.25 Low confidence
Statistical Significance
1.80e-04
Supporting Reference Compounds
2
E-value
1.40129
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.238 Low confidence
Statistical Significance
0.5482
Supporting Reference Compounds
407
E-value
4267.85
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.25 Low confidence
Statistical Significance
0.065
Supporting Reference Compounds
47
E-value
505.709
Click to view 3D structureHistone deacetylase HD2Q94F81Zea maysPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.316
Statistical Significance
0.0735
Supporting Reference Compounds
15
E-value
571.88
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.207 Low confidence
Statistical Significance
0.6722
Supporting Reference Compounds
472
E-value
5232.71
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
2
E-value
16.4262
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.7737
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.2 Low confidence
Statistical Significance
0.5559
Supporting Reference Compounds
149
E-value
4327.33
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.273 Low confidence
Statistical Significance
0.6032
Supporting Reference Compounds
332
E-value
4695.94
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.238 Low confidence
Statistical Significance
0.4667
Supporting Reference Compounds
193
E-value
3633.53
Ribonucleoside-diphosphate reductase large subunit structureClick to view 3D structureRibonucleoside-diphosphate reductase large subunitP23921HumansKnownNot Available
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB01005
HMDB IDHMDB0015140
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDHYDROXY-UREA
METLIN IDNot Available
PDB IDNHY
Wikipedia LinkHydroxyurea
Chemspider ID3530
ChEBI ID44423
PubChem Compound ID3657
Kegg Compound IDC07044
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

Dee W. Brooks, Andrew O. Stewart, Richard A. Craig, “Substituted aryl- and heteroarylalkenyl-N-hydroxyurea inhibitors of leukotriene biosynthesis.” U.S. Patent US5506261, issued October, 1990.

MSDSLink
General References
  1. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. http://monographs.iarc.fr/index.php