Chlorthalidone

Identification

Summary

Chlorthalidone is a diuretic used to treat hypertension or edema caused by heart failure, renal failure, hepatic cirrhosis, estrogen therapy, and other conditions.

Brand Names
Edarbyclor, Tenoretic, Thalitone
Generic Name
Chlorthalidone
DrugBank Accession Number
DB00310
Background

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
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.

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Prevention ofCalcium nephrolithiasis••• •••••••••••
Adjunct therapy in treatment ofEdema••••••••••••••••••
Adjunct therapy in treatment ofEdema••••••••••••••••••
Adjunct therapy in treatment ofEdema••••••••••••••••••
Used in combination to manageHigh blood pressure (hypertension)Combination Product in combination with: Azilsartan medoxomil (DB08822)•••••••••••••••••••• •••••••••••••••• ••••• •••••• ••••••••••••••
Contraindications & Blackbox Warnings
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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
ACarbonic anhydrase 1
inhibitor
Humans
ASolute carrier family 12 member 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
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Toxicity

Not Available

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.
AbaloparatideThe risk or severity of adverse effects can be increased when Chlorthalidone is combined with Abaloparatide.
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.
Food Interactions
  • Take with food. Food may increase bioavailability.

Products

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Product Images
International/Other Brands
Hygroton (Novartis) / Saluretin (Balkanpharma)
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Chlorthalidone 100mg TabletsTablet100 mgOralLaboratoires Confab IncNot applicableNot applicableCanada flag
Chlorthalidone 50mg TabletsTablet50 mgOralLaboratoires Confab IncNot applicableNot applicableCanada flag
Chlorthalidone Tab 100mgTablet100 mgOralDuchesnay Inc.1978-12-312003-07-18Canada flag
Chlorthalidone Tab 100mgTablet100 mgOralPro Doc Limitee1978-12-311999-08-12Canada flag
Chlorthalidone Tab 50mgTablet50 mgOralDuchesnay Inc.1978-12-312003-07-18Canada flag
Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Apo Chlorthalidone Tab 100mgTablet100 mgOralApotex Corporation1976-12-312019-04-05Canada flag
Apo-chlorthalidoneTablet50 mgOralApotex Corporation1976-12-31Not applicableCanada flag
ChlorthalidoneTablet25 mg/1OralA-S Medication Solutions2017-05-17Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralDirect_Rx2022-05-10Not applicableUS flag
ChlorthalidoneTablet25 mg/1OralSun Pharmaceutical Industries, Inc.2016-02-12Not applicableUS flag
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
Apo-Atenidone Tablets 100/25 mgChlorthalidone (25 mg) + Atenolol (100 mg)TabletOralPHARMAFORTE (MALAYSIA) SDN. BHD.2020-09-08Not applicableMalaysia flag
ATENIGRONChlorthalidone (25 mg) + Atenolol (125 mg)TabletOralAescul API Us Farmaceutici Srl2014-07-082023-12-08Italy flag
ATENIGRONChlorthalidone (25 mg) + Atenolol (125 mg)TabletOralAescul API Us Farmaceutici Srl2014-07-082023-12-08Italy 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)
Affected organisms
  • Humans and other mammals

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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  8. FDA Approved Drug Products: Thalitone (chlorthalidone) oral tablets [Link]
  9. FDA Approved Drug Products: EDARBYCLOR (azilsartan medoxomil and chlorthalidone) tablets, for oral use [Link]
  10. FDA Approved Drug Products: Tenoretic (atenolol and chlorthalidone) oral tablets [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
Chlortalidone
FDA label
Download (631 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentAortic Stenosis / Aortic Valve Insufficiency / Hypertension / Left Ventricular Hypertrophy / LVM1
4CompletedTreatmentChronic Kidney Disease (CKD) / Poorly-Controlled Hypertension1
4CompletedTreatmentHypertension2
4Not Yet RecruitingTreatmentHypertension, Essential Hypertension1
4RecruitingBasic ScienceHypertension / Left Ventricular Hypertrophy1

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
TabletOral50 mg
Tablet, film coatedOral
TabletOral
Tablet, coatedOral
Tablet, coatedOral25 mg
Tablet, coatedOral50 mg
Tablet, coatedOral12.5 mg
Tablet, coatedOral1250000 mg
TabletOral25 1/1
TabletOral25 mg/1
TabletOral50 1/1
TabletOral50 mg/1
TabletOral50.00 mg
Tablet, film coated
TabletOral50.000 mg
TabletOral1250000 mg
TabletOral2500000 mg
TabletOral12.5 mg
TabletOral50 mg
Tablet, film coatedOral100 mg
Tablet, film coatedOral50 mg
TabletOral15 mg/1
TabletOral100 mg
TabletOral
TabletOral25 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

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-MSsplash10-0002-1932000000-80f6e933d5d7eeee2db5
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-00di-0269000000-ea7da059eeece096f30e
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0006-2982000000-a0107386ee7e2a9cf40e
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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-a259f9e96638aa9b6f34
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000l-0059000000-508a39caa2f290b026bc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000l-0049000000-4fd6b5bddf28690f938d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-d8a4b40348e48435343d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-9400000000-ca3adf766e73fef793c5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0920000000-8f29b2a820fe80622606
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-180.1103091
predicted
DarkChem Lite v0.1.0
[M-H]-165.52377
predicted
DeepCCS 1.0 (2019)
[M+H]+180.3025091
predicted
DarkChem Lite v0.1.0
[M+H]+167.88177
predicted
DeepCCS 1.0 (2019)
[M+Na]+180.0288091
predicted
DarkChem Lite v0.1.0
[M+Na]+174.50325
predicted
DeepCCS 1.0 (2019)

Targets

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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. [Article]
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. [Article]
  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. [Article]
  3. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [Article]
  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. [Article]

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 at June 13, 2005 13:24 / Updated at March 18, 2024 16:48