Identification

Name
Chlorthalidone
Accession Number
DB00310
Description

Chlorthalidone is a thiazide-like diuretic used for the treatment of hypertension and for management of edema caused by conditions such as heart failure or renal impairment. Chlorthalidone improves blood pressure and swelling by preventing water absorption from the kidneys through inhibition of the Na+/Cl− symporter in the distal convoluted tubule cells in the kidney. The exact mechanism of chlorthalidone's anti-hypertensive effect is under debate, however, it is thought that increased diuresis results in decreased plasma and extracellular fluid volume, decreased cardiac output and therefore overall reduction in blood pressure.5

Chlorthalidone is considered first-line therapy for management of uncomplicated hypertension as there is strong evidence from meta-analyses that thiazide diuretics such as chlorthalidone reduce the risk of stroke, myocardial infarction, heart failure, and cardiovascular all-cause mortality in patients with hypertension.1 In particular, the ALLHAT trial confirmed the role of thiazide diuretics as first-line therapy and demonstrated that chlorthalidone had a statistically significant lower incidence of stroke and heart failure when compared to Lisinopril, Amlodipine, or Doxazosin.2,3 Further studies have indicated that low-dose thiazides are as good as, and in some secondary endpoints, better than β-blockers, ACE inhibitors, Calcium Channel Blockers or ARBs.

Chlorthalidone has been shown to have a number of pleiotropic effects that differentiate it from other diuretics such as Hydrochlorothiazide. In addition to its antihypertensive effects, chlorthalidone has also been shown to decrease platelet aggregation and vascular permeability, as well as promote angiogenesis in vitro, which is thought to be partly the result of reductions in carbonic anhydrase–dependent pathways. These pathways may play a role in chlorthalidone's cardiovascular risk reduction effects.7

Type
Small Molecule
Groups
Approved
Structure
Thumb
Weight
Average: 338.766
Monoisotopic: 338.012805247
Chemical Formula
C14H11ClN2O4S
Synonyms
  • 1-keto-3-(3'-sulfamyl-4'-chlorophenyl)-3-hydroxyisoindoline
  • 1-oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxyisoindoline
  • 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide
  • 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide
  • 3-(4'-chloro-3'-sulfamoylphenyl)-3-hydroxyphthalimidine
  • 3-hydroxy-3-(4-chloro-3-sulfamylphenyl)phthalimidine
  • Chlorphthalidolone
  • Chlortalidone
  • Chlortalidonum
  • Chlorthalidone
  • Clortalidona
  • Phthalamodine
  • Phthalamudine

Pharmacology

Indication

Chlorthalidone is indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension.

Chlorthalidone is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy.

Chlorthalidone has also been found useful in edema due to various forms of renal dysfunction, such as nephrotic syndrome, acute glomerulonephritis, and chronic renal failure.

Associated Conditions
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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Pharmacodynamics
Not Available
Mechanism of action

Chlorthalidone prevents reabsorption of sodium and chloride through inhibition of the Na+/Cl- symporter in the cortical diluting segment of the ascending limb of the loop of Henle.4 Reduction of sodium reabsorption subsequently reduces extracellular fluid and plasma volume via an osmotic, sodium-driven diuresis. By increasing the delivery of sodium to the distal renal tubule, Chlorthalidone indirectly increases potassium excretion via the sodium-potassium exchange mechanism. The exact mechanism of chlorthalidone's anti-hypertensive effect is under debate, however, it is thought that increased diuresis results in decreased plasma and extracellular fluid volume which therefore requires decreased cardiac output and overall lowers blood pressure.5 Chlorthalidone has also been shown to decrease platelet aggregation and vascular permeability, as well as promote angiogenesis in vitro, which is thought to be partly the result of reductions in carbonic anhydrase–dependent pathways. These pathways may play a role in chlorthalidone's cardiovascular risk reduction effects.7

TargetActionsOrganism
ASolute carrier family 12 member 1
inhibitor
Humans
ACarbonic anhydrase 1
inhibitor
Humans
Absorption
Not Available
Volume of distribution

Chlorthalidone has been shown to rapidly concentrate within erythrocytes and subsequently equilibrate via a slow diffusion back into the serum compartment, resulting in a large volume of distribution.6

Protein binding

Approximately 75 percent of the drug is bound to plasma proteins, 58 percent of the drug being bound to albumin.Label This is caused by an increased affinity of the drug to erythrocyte carbonic anhydrase.

Metabolism

Liver

Route of elimination

Approximately 50% of the administered dose is excreted unmetabolized through the kidney, and excretion is characterized by biphasic elimination with a rapid phase followed by a slow secretory phase.6

Half-life

40-50 hoursLabel,6

Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
  • Humans and other mammals
Pathways
PathwayCategory
Chlorthalidone Action PathwayDrug action
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
AbacavirChlorthalidone may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy.
AcarboseThe therapeutic efficacy of Acarbose can be decreased when used in combination with Chlorthalidone.
AcebutololChlorthalidone may increase the hypotensive activities of Acebutolol.
AceclofenacThe therapeutic efficacy of Chlorthalidone can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Chlorthalidone can be decreased when used in combination with Acemetacin.
AcetaminophenChlorthalidone may increase the excretion rate of Acetaminophen which could result in a lower serum level and potentially a reduction in efficacy.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Chlorthalidone.
AcetyldigitoxinThe risk or severity of adverse effects can be increased when Chlorthalidone is combined with Acetyldigitoxin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Chlorthalidone which could result in a higher serum level.
AclidiniumAclidinium may increase the excretion rate of Chlorthalidone which could result in a lower serum level and potentially a reduction in efficacy.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
  • Take with food. Food may increase bioavailability.

Products

Product Images
International/Other Brands
Hygroton (Novartis) / Saluretin (Balkanpharma)
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
ChlorthalidoneTablet50 mgOralAa Pharma Inc1976-12-31Not applicableCanada flag
Chlorthalidone 100mg TabletsTabletOralLaboratoires Confab IncNot applicableNot applicableCanada flag
Chlorthalidone 50mg TabletsTabletOralLaboratoires Confab IncNot applicableNot applicableCanada flag
Chlorthalidone Tab 100mgTabletOralPro Doc Limitee1978-12-311999-08-12Canada flag
Chlorthalidone Tab 100mgTabletOralDuchesnay Inc.1978-12-312003-07-18Canada flag
Chlorthalidone Tab 50mgTabletOralPro Doc Limitee1978-12-311999-08-12Canada flag
Chlorthalidone Tab 50mgTabletOralDuchesnay Inc.1978-12-312003-07-18Canada flag
Hygroton 50mgTabletOralNovartis1968-12-311999-08-04Canada flag
ThalitoneTablet15 mg/1OralPfizer Laboratories Div Pfizer Inc1988-12-202013-12-31US flag
Uridon Tab 100mgTabletOralIcn Pharmaceuticals1970-12-312005-04-26Canada flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Apo Chlorthalidone Tab 100mgTabletOralApotex Corporation1976-12-312019-04-05Canada flag
ChlorthalidoneTablet50 mg/1OralNorthstar Rx Llc.2019-11-21Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralA-S Medication Solutions2016-02-12Not applicableUS flag
ChlorthalidoneTablet25 1/1OralELYSIUM PHARMACEUTICALS LIMITED2019-05-09Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralNucare Pharmaceuticals,inc.2017-05-17Not applicableUS flag
ChlorthalidoneTablet50 mg/1OralRiconpharma Llc2017-05-012017-05-01US flag
ChlorthalidoneTablet25 mg/1OralRpk Pharmaceuticals, Inc.2017-05-17Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralNucare Pharmaceuticals,inc.2019-06-24Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralNorth Star Rx Llc2018-04-04Not applicableUS flag
ChlorthalidoneTablet50 mg/1OralAscend Laboratories, LLC2020-02-13Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Aa-atenidoneChlorthalidone (25 mg) + Atenolol (50 mg)TabletOralAa Pharma Inc2004-08-12Not applicableCanada flag
Aa-atenidoneChlorthalidone (25 mg) + Atenolol (100 mg)TabletOralAa Pharma Inc2004-08-12Not applicableCanada flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (50 mg/1)TabletOralZydus Pharmaceuticals (USA) Inc.2019-03-12Not applicableUS flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (50 mg/1)TabletOralRemedy Repack2013-02-222014-02-22US flag00378 2063 01 nlmimage10 8233c15e
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (50 mg/1)TabletOralbryant ranch prepack1992-08-012016-11-30US flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (100 mg/1)TabletOralMutual Pharmaceutical1993-04-29Not applicableUS flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (100 mg/1)TabletOralPreferred Pharmaceuticals, Inc.2013-05-092019-06-04US flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (50 mg/1)TabletOralActavis Pharma, Inc.1992-08-01Not applicableUS flag0591 578220180907 15195 ndkyl9
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (50 mg/1)TabletOralAphena Pharma Solutions - Tennessee, LLC2013-03-282020-04-30US flag
Atenolol and ChlorthalidoneChlorthalidone (25 mg/1) + Atenolol (100 mg/1)TabletOralRebel Distributors1992-08-01Not applicableUS flag

Categories

ATC Codes
G01AE10 — Combinations of sulfonamidesC03EA06 — Chlortalidone and potassium-sparing agentsC03BB04 — Chlortalidone and potassiumC03BA04 — Chlortalidone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Isoindolones
Alternative Parents
Benzenesulfonamides / Benzenesulfonyl compounds / Isoindoles / Chlorobenzenes / Aryl chlorides / Organosulfonamides / Aminosulfonyl compounds / Lactams / Secondary carboxylic acid amides / Alkanolamines
show 6 more
Substituents
Alkanolamine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenesulfonamide / Benzenesulfonyl group / Benzenoid / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
sulfonamide, monochlorobenzenes, isoindoles (CHEBI:3654)

Chemical Identifiers

UNII
Q0MQD1073Q
CAS number
77-36-1
InChI Key
JIVPVXMEBJLZRO-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
IUPAC Name
2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzene-1-sulfonamide
SMILES
NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12

References

Synthesis Reference

Graf, W., Schmid, E. and Stoll, W.G.; US Patent 3,055,904; September 25,1962; assigned to Geigy Chemical Corporation.

General References
  1. Wright JM, Lee CH, Chambers GK: Systematic review of antihypertensive therapies: does the evidence assist in choosing a first-line drug? CMAJ. 1999 Jul 13;161(1):25-32. [PubMed:10420860]
  2. Siragy HM: Major outcomes in high-risk hypertensive patients randomized to angiotensin-converting enzyme inhibitors or calcium channel blocker vs diuretic. The Antihypertensive and Lipid-Lowering Treatment to Prevent Heart Attack Trial (ALLHAT). Curr Hypertens Rep. 2003 Aug;5(4):293-4. [PubMed:12844462]
  3. Authors unspecified: Major cardiovascular events in hypertensive patients randomized to doxazosin vs chlorthalidone: the antihypertensive and lipid-lowering treatment to prevent heart attack trial (ALLHAT). ALLHAT Collaborative Research Group. JAMA. 2000 Apr 19;283(15):1967-75. [PubMed:10789664]
  4. Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27. [PubMed:19474192]
  5. Shahin MH, Johnson JA: Mechanisms and pharmacogenetic signals underlying thiazide diuretics blood pressure response. Curr Opin Pharmacol. 2016 Apr;27:31-7. doi: 10.1016/j.coph.2016.01.005. Epub 2016 Feb 10. [PubMed:26874237]
  6. Kountz DS, Goldman A, Mikhail J, Ezer M: Chlorthalidone: the forgotten diuretic. Postgrad Med. 2012 Jan;124(1):60-6. doi: 10.3810/pgm.2012.01.2518. [PubMed:22314115]
  7. Woodman R, Brown C, Lockette W: Chlorthalidone decreases platelet aggregation and vascular permeability and promotes angiogenesis. Hypertension. 2010 Sep;56(3):463-70. doi: 10.1161/HYPERTENSIONAHA.110.154476. Epub 2010 Jul 12. [PubMed:20625077]
  8. FDA Approved Drug Products: Thalitone (chlorthalidone) [Link]
Human Metabolome Database
HMDB0014455
KEGG Drug
D00272
PubChem Compound
2732
PubChem Substance
46505541
ChemSpider
2631
BindingDB
25900
RxNav
2409
ChEBI
3654
ChEMBL
CHEMBL1055
Therapeutic Targets Database
DAP000521
PharmGKB
PA448970
RxList
RxList Drug Page
Drugs.com
Drugs.com Drug Page
Wikipedia
Chlorthalidone
AHFS Codes
  • 40:28.24 — Thiazide-like Diuretics
FDA label
Download (631 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingTreatmentCardio-Renal Syndrome / Renal Insufficiency,Chronic1
4CompletedTreatmentChronic Kidney Disease (CKD) / Poorly-Controlled Hypertension1
4CompletedTreatmentHigh Blood Pressure (Hypertension)2
4CompletedTreatmentRenal Insufficiency,Chronic1
4Not Yet RecruitingTreatmentHigh Blood Pressure (Hypertension) / Metabolic Syndromes / Overweight and Obesity1
4RecruitingTreatmentAortic Valve Insufficiency / Aortic Valve Stenosis / High Blood Pressure (Hypertension) / Left Ventricular Hypertrophy / LVM1
4RecruitingTreatmentHigh Blood Pressure (Hypertension)2
4RecruitingTreatmentHypertension,Essential1
4SuspendedPreventionHigh Blood Pressure (Hypertension) / Novel Coronavirus Infectious Disease (COVID-19)1
4TerminatedTreatmentDiabetes / High Blood Pressure (Hypertension) / Stage 2 Hypertension1

Pharmacoeconomics

Manufacturers
  • Abbott laboratories pharmaceutical products div
  • Ascot hosp pharmaceuticals inc div travenol laboratories inc
  • Clonmel healthcare ltd
  • Ivax pharmaceuticals inc
  • Kv pharmaceutical co
  • Mutual pharmaceutical co inc
  • Mylan pharmaceuticals inc
  • Pioneer pharmaceuticals inc
  • Pliva inc
  • Purepac pharmaceutical co
  • Sandoz inc
  • Superpharm corp
  • Teva pharmaceuticals usa inc
  • Usl pharma inc
  • Vangard laboratories inc div midway medical co
  • Warner chilcott div warner lambert co
  • Watson laboratories inc
  • Sanofi aventis us llc
  • Monarch pharmaceuticals inc
Packagers
  • Advanced Pharmaceutical Services Inc.
  • Amerisource Health Services Corp.
  • Apothecon
  • A-S Medication Solutions LLC
  • AstraZeneca Inc.
  • Bryant Ranch Prepack
  • Comprehensive Consultant Services Inc.
  • Dispensing Solutions
  • Diversified Healthcare Services Inc.
  • H and H Laboratories
  • Hl Moore Drug Exchange
  • IPR Pharmaceuticals Inc.
  • Ivax Pharmaceuticals
  • Kaiser Foundation Hospital
  • King Pharmaceuticals Inc.
  • Lake Erie Medical and Surgical Supply
  • Major Pharmaceuticals
  • Medvantx Inc.
  • Merckle GmbH
  • Monarch Pharmacy
  • Murfreesboro Pharmaceutical Nursing Supply
  • Mutual Pharmaceutical Co.
  • Mylan
  • Nucare Pharmaceuticals Inc.
  • Palmetto Pharmaceuticals Inc.
  • PD-Rx Pharmaceuticals Inc.
  • Pharmaceutical Utilization Management Program VA Inc.
  • Physicians Total Care Inc.
  • Pliva Inc.
  • Preferred Pharmaceuticals Inc.
  • Prepak Systems Inc.
  • Qualitest
  • Rebel Distributors Corp.
  • Remedy Repack
  • Sandhills Packaging Inc.
  • Southwood Pharmaceuticals
  • Stat Scripts LLC
  • UDL Laboratories
  • Watson Pharmaceuticals
Dosage Forms
FormRouteStrength
Tablet, film coatedOral100 mg
Tablet, film coatedOral50 mg
TabletOral
Tablet, coatedOral25 mg
TabletOral12.5 mg
Tablet, coatedOral50 mg
TabletOral25 mg/1
TabletOral25 1/1
TabletOral50 1/1
TabletOral50 mg/1
TabletOral50 mg
Tablet, coatedOral12.5 mg
Tablet, coatedOral40 mg
Tablet25 mg
Tablet50 mg
TabletOral
TabletOral25 mg
Tablet, film coated100 mg
Tablet, film coated50 mg
TabletOral100 mg
TabletOral15 mg/1
Tablet, film coatedOral25 mg
Tablet, coatedOral160 mg
Tablet, coatedOral320 mg
Prices
Unit descriptionCostUnit
Tenoretic 100 100-25 mg tablet2.91USD tablet
Tenoretic 100 tablet2.91USD tablet
Tenoretic 50 50-25 mg tablet2.18USD tablet
Tenoretic 50 tablet2.07USD tablet
Thalitone 15 mg tablet1.55USD tablet
Chlorthalidone 100 mg tablet1.07USD tablet
Chlorthalidone 50 mg tablet0.46USD tablet
Chlorthalidone 25 mg tablet0.28USD tablet
Apo-Chlorthalidone 50 mg Tablet0.13USD tablet
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US9169238No2015-10-272030-02-25US flag
US7572920No2009-08-112025-01-07US flag
US9066936No2015-06-302028-03-26US flag
US7157584No2007-01-022025-05-22US flag
US9387249No2016-07-122031-07-01US flag
Additional Data Available
  • Filed On
    Filed On

    The date on which a patent was filed with the relevant government.

    Learn more

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)239 °CPhysProp
water solubility120 mg/L (at 20 °C)MERCK INDEX (1996)
logP0.85BERTHOD,A ET AL. (1999)
Predicted Properties
PropertyValueSource
Water Solubility0.0528 mg/mLALOGPS
logP1.27ALOGPS
logP1.6ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)8.76ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area109.49 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity81.3 m3·mol-1ChemAxon
Polarizability31.29 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.5447
Caco-2 permeable-0.6272
P-glycoprotein substrateNon-substrate0.767
P-glycoprotein inhibitor INon-inhibitor0.9603
P-glycoprotein inhibitor IINon-inhibitor0.9573
Renal organic cation transporterNon-inhibitor0.891
CYP450 2C9 substrateNon-substrate0.6403
CYP450 2D6 substrateNon-substrate0.822
CYP450 3A4 substrateNon-substrate0.6369
CYP450 1A2 substrateNon-inhibitor0.9046
CYP450 2C9 inhibitorNon-inhibitor0.9071
CYP450 2D6 inhibitorNon-inhibitor0.9231
CYP450 2C19 inhibitorNon-inhibitor0.9025
CYP450 3A4 inhibitorNon-inhibitor0.9299
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8193
Ames testNon AMES toxic0.7277
CarcinogenicityNon-carcinogens0.5752
BiodegradationNot ready biodegradable1.0
Rat acute toxicity1.8623 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9968
hERG inhibition (predictor II)Non-inhibitor0.8914
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-000i-0609000000-faf1d2e7aeaeb67be716
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-000b-1910000000-e0b8fe4609e6388b1ffd
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-002b-4910000000-73abcbf2a1d59168b6bf
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-002b-7900000000-f7d1994811fe2a4e97a7
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-004j-9600000000-fa803d15f1d75531f680
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-01ta-9300000000-f8f2617e8f0094998274
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-00di-0009000000-0395bc83917f9fc4af05
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-00di-0029000000-bbee59ce6cba3ba80a24
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0006-0192000000-8f7aa98268ee9e344849
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0006-1490000000-7e99919cc132fee88dbf
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0udr-1950000000-4195d981453db67a37b0
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0udi-1910000000-27cef04d1420bbc9441e
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-0269000000-ea7da059eeece096f30e
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-2982000000-a0107386ee7e2a9cf40e

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Sodium:potassium:chloride symporter activity
Specific Function
Electrically silent transporter system. Mediates sodium and chloride reabsorption. Plays a vital role in the regulation of ionic balance and cell volume.
Gene Name
SLC12A1
Uniprot ID
Q13621
Uniprot Name
Solute carrier family 12 member 1
Molecular Weight
121449.13 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352]
  4. Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27. [PubMed:19474192]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Zinc ion binding
Specific Function
Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.
Gene Name
CA1
Uniprot ID
P00915
Uniprot Name
Carbonic anhydrase 1
Molecular Weight
28870.0 Da
References
  1. Woodman R, Brown C, Lockette W: Chlorthalidone decreases platelet aggregation and vascular permeability and promotes angiogenesis. Hypertension. 2010 Sep;56(3):463-70. doi: 10.1161/HYPERTENSIONAHA.110.154476. Epub 2010 Jul 12. [PubMed:20625077]

Carriers

Kind
Protein
Organism
Humans
Pharmacological action
No
General Function
Toxic substance binding
Specific Function
Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloid...
Gene Name
ALB
Uniprot ID
P02768
Uniprot Name
Serum albumin
Molecular Weight
69365.94 Da

Drug created on June 13, 2005 07:24 / Updated on September 25, 2020 15:13

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