Calcium chloride

Identification

Name
Calcium chloride
Accession Number
DB01164
Description

Calcium chloride is an ionic compound of calcium and chlorine. It is highly soluble in water and it is deliquescent. It is a salt that is solid at room temperature, and it behaves as a typical ionic halide. It has several common applications such as brine for refrigeration plants, ice and dust control on roads, and in cement. It can be produced directly from limestone, but large amounts are also produced as a by-product of the Solvay process. Because of its hygroscopic nature, it must be kept in tightly-sealed containers.

Type
Small Molecule
Groups
Approved
Structure
Thumb
Weight
Average: 110.984
Monoisotopic: 109.900296569
Chemical Formula
CaCl2
Synonyms
  • Calcio cloruro
  • Calcium chloride anhydrous
  • Calcium chloride, anhydrous
  • calcium(2+) chloride
External IDs
  • E-509
  • INS NO.509
  • INS-509

Pharmacology

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Indication

For the treatment of hypocalcemia in those conditions requiring a prompt increase in blood plasma calcium levels, for the treatment of magnesium intoxication due to overdosage of magnesium sulfate, and used to combat the deleterious effects of hyperkalemia as measured by electrocardiographic (ECG), pending correction of the increased potassium level in the extracellular fluid.

Associated Conditions
Associated Therapies
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
Pharmacodynamics

Calcium is the fifth most abundant element in the body and the major fraction is in the bony structure. Calcium plays important physiological roles, many of which are poorly understood. It is essential for the functional integrity of the nervous and muscular systems. It is necessary for normal cardiac function and is one of the factors that operates in the mechanisms involved in the coagulation of blood.

Mechanism of action

Calcium chloride in water dissociates to provide calcium (Ca2+) and chloride (Cl-) ions. They are normal constituents of the body fluids and are dependent on various physiological mechanisms for maintenance of balance between intake and output. For hyperkalemia, the influx of calcium helps restore the normal gradient between threshold potential and resting membrane potential.

TargetActionsOrganism
UProtein S100-A13Not AvailableHumans
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism

Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.

Route of elimination

Approximately 80% of body calcium is excreted in the feces as insoluble salts; urinary excretion accounts for the remaining 20%.

Half-life
Not Available
Clearance
Not Available
Adverse Effects
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
Toxicity

Too rapid injection may produce lowering of blood pressure and cardiac syncope. Persistent hypercalcemia from overdosage of calcium is unlikely because of rapid excretion.

Affected organisms
  • Humans and other mammals
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
AbciximabThe therapeutic efficacy of Calcium chloride can be decreased when used in combination with Abciximab.
AcebutololThe therapeutic efficacy of Acebutolol can be decreased when used in combination with Calcium chloride.
AcenocoumarolThe therapeutic efficacy of Calcium chloride can be decreased when used in combination with Acenocoumarol.
AcetyldigitoxinCalcium chloride may increase the arrhythmogenic and cardiotoxic activities of Acetyldigitoxin.
Alendronic acidThe serum concentration of Alendronic acid can be decreased when it is combined with Calcium chloride.
AlfacalcidolThe risk or severity of adverse effects can be increased when Calcium chloride is combined with Alfacalcidol.
Alpha-1-proteinase inhibitorAlpha-1-proteinase inhibitor may increase the thrombogenic activities of Calcium chloride.
AlteplaseThe therapeutic efficacy of Calcium chloride can be decreased when used in combination with Alteplase.
Aminocaproic acidThe risk or severity of adverse effects can be increased when Aminocaproic acid is combined with Calcium chloride.
AmiodaroneThe therapeutic efficacy of Amiodarone can be decreased when used in combination with Calcium chloride.
Interactions
Improve patient outcomes
Build effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.
Learn more
Food Interactions
No interactions found.

Products

Products
Comprehensive & structured drug product info
From application numbers to product codes, connect different identifiers through our commercial datasets.
Learn more
Easily connect various identifiers back to our datasets
Learn more
Product Ingredients
IngredientUNIICASInChI Key
Calcium chloride dihydrateM4I0D6VV5M10035-04-8LLSDKQJKOVVTOJ-UHFFFAOYSA-L
Calcium chloride hexahydrate1D898P42YW7774-34-7Not applicable
Active Moieties
NameKindUNIICASInChI Key
CalciumunknownSY7Q814VUP7440-70-2OYPRJOBELJOOCE-UHFFFAOYSA-N
Chloride ionionicQ32ZN4869816887-00-6VEXZGXHMUGYJMC-UHFFFAOYSA-M
Calcium cationionic2M83C4R6ZB14127-61-8BHPQYMZQTOCNFJ-UHFFFAOYSA-N
International/Other Brands
Jarcal / LiquiCal-D 400
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Calciject Inj 100mg/mlLiquidIntravenousOmega Laboratories Ltd1990-12-31Not applicableCanada flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenous; IntraventricularHospira, Inc.2006-01-24Not applicableUS flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenous; IntraventricularHF Acquisition Co LLC, DBA HealthFirst2018-09-13Not applicableUS flag
Calcium ChlorideInjection, solution20 mg/1mLIntravenousCantrell Drug Company2011-03-08Not applicableUS flag
Calcium ChlorideInjection100 mg/1mLIntravenous; IntraventricularMedical Purchasing Solutions, Llc1973-05-01Not applicableUS flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenousCardinal Health2011-06-142014-02-28US flag
Calcium ChlorideInjection100 mg/1mLIntravenousAmneal-Agila, LLC2013-05-312017-12-31US flag
Calcium ChlorideInjection100 mg/1mLParenteralAmphastar Pharmaceuticals, Inc.1990-01-022009-12-31US flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenous; IntraventricularCardinal Health1984-09-172019-04-30US flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenousHospira, Inc.2005-09-14Not applicableUS flag
Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Calcium ChlorideInjection, solution100 mg/1mLIntravenousCivica, Inc.2021-04-02Not applicableUS flag
Calcium ChlorideInjection100 mg/1mLIntravenous; IntraventricularInternational Medication Systems, Limited2018-07-08Not applicableUS flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenousAMERICAN REGENT, INC.2018-02-06Not applicableUS flag
Calcium ChlorideInjection100 mg/1mLIntravenous; IntraventricularA-S Medication Solutions2018-07-082019-04-30US flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenousMedefil, Inc.2019-08-22Not applicableUS flag
Calcium ChlorideInjection100 mg/1mLIntravenous; IntraventricularHF Acquisition Co LLC, DBA HealthFirst2019-12-09Not applicableUS flag
Calcium ChlorideInjection, solution100 mg/1mLIntravenousMedical Purchasing Solutions, Llc2019-08-22Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
(40 Mmols/l) Potassium Chloride In Lactated Ringer's Injection USPCalcium chloride (20 mg) + Sodium lactate (310 mg) + Potassium chloride (328 mg) + Sodium chloride (600 mg)SolutionIntravenousBaxter Laboratories2002-12-112016-07-15Canada flag
5% Dextrose In Lactated Ringer's InjectionCalcium chloride (20 mg) + Dextrose, unspecified form (5 g) + Sodium lactate (310 mg) + Potassium chloride (30 mg) + Sodium chloride (600 mg)SolutionIntravenousB. Braun Medical Inc.1993-12-312012-04-10Canada flag
Acetate Concentrate R07376Calcium chloride (6.432 g) + Dextrose, unspecified form (38.5 g) + Magnesium chloride (3.558 g) + Potassium chloride (2.609 g) + Sodium acetate (114.8 g) + Sodium chloride (204.5 g)LiquidHemodialysisBdh Inc.1995-12-312000-08-03Canada flag
Acid Concentrate (r04146)Calcium chloride (9.477 g) + Acetic acid (8.846 g) + Dextrose, unspecified form (60.8 g) + Magnesium chloride (3.744 g) + Sodium chloride (184 g)LiquidHemodialysisGenpharm Ulc1997-05-212004-07-30Canada flag
Acid Concentrate (r04938)Calcium chloride (9.476 g) + Acetic acid (8.846 g) + Dextrose, unspecified form (60.77 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (172.2 g)LiquidHemodialysisGenpharm Ulc1987-12-312001-08-03Canada flag
Acid Concentrate (r04968)Calcium chloride (3.384 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (180.8 g)LiquidHemodialysisGenpharm Ulc1988-12-312004-07-30Canada flag
Acid Concentrate (r04969)Calcium chloride (3.384 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (2.746 g) + Sodium chloride (180.8 g)LiquidHemodialysisGenpharm Ulc1988-12-312004-07-30Canada flag
Acid Concentrate (r04974)Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (8.237 g) + Sodium chloride (172.2 g)LiquidHemodialysisGenpharm Ulc1988-12-312004-07-30Canada flag
Acid Concentrate (r04975)Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (2.746 g) + Sodium chloride (172.2 g)LiquidHemodialysisGenpharm Ulc1988-12-312004-07-30Canada flag
Acid Concentrate (r04976)Calcium chloride (6.769 g) + Acetic acid (8.846 g) + Magnesium chloride (3.744 g) + Potassium chloride (5.491 g) + Sodium chloride (172.2 g)LiquidHemodialysisGenpharm Ulc1988-12-312004-07-30Canada flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BALANCE %1,5 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %1,5 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %1,5 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBACalcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %1,5 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBACalcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (16.5 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %2,3 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %2,3 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %2,3 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBACalcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %2,3 GLIKOZ 1,75 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBACalcium chloride dihydrate (0.2573 g/L) + D-glucose monohydrate (25 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %4,25 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2000 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (46.75 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag
BALANCE %4,25 GLIKOZ 1,25 MMOL / 1 KALSIYUM 2500 ML BIOFIN TORBACalcium chloride dihydrate (0.1838 g/L) + D-glucose monohydrate (46.75 g/L) + Sodium lactate (3.925 g/L) + Magnesium chloride hexahydrate (0.1017 g/L) + Sodium chloride (5.64 g/L)SolutionIntraperitonealFRESENIUS MEDİKAL HİZMETLER A.Ş.2020-08-14Not applicableTurkey flag

Categories

ATC Codes
A12AA07 — Calcium chlorideA11GB01 — Ascorbic acid (vit c) and calciumG04BA03 — Calcium chlorideB05XA07 — Calcium chloride
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
Kingdom
Inorganic compounds
Super Class
Mixed metal/non-metal compounds
Class
Alkaline earth metal salts
Sub Class
Alkaline earth metal chlorides
Direct Parent
Alkaline earth metal chlorides
Alternative Parents
Inorganic chloride salts / Inorganic calcium salts
Substituents
Alkaline earth metal chloride / Inorganic calcium salt / Inorganic chloride salt / Inorganic salt
Molecular Framework
Not Available
External Descriptors
inorganic chloride, calcium salt (CHEBI:3312)

Chemical Identifiers

UNII
OFM21057LP
CAS number
10043-52-4
InChI Key
UXVMQQNJUSDDNG-UHFFFAOYSA-L
InChI
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
IUPAC Name
calcium dichloride
SMILES
[Cl-].[Cl-].[Ca++]

References

Synthesis Reference

Silvano Grosso, Kenneth E. Nelson, "Method for preparing liquid feed supplements containing calcium chloride." U.S. Patent US3962484, issued August, 1973.

US3962484
General References
Not Available
KEGG Compound
C08130
PubChem Compound
5284359
PubChem Substance
46507257
ChemSpider
23237
RxNav
1667640
ChEBI
3312
ChEMBL
CHEMBL1200668
PharmGKB
PA448729
RxList
RxList Drug Page
Wikipedia
Calcium_chloride
AHFS Codes
  • 40:34.00* — Hemodialysis Solution
  • 40:12.00 — Replacement Preparations
MSDS
Download (74.1 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentAPD / Continuous ambulatory peritoneal dialysis therapy / Diabetes / ESRD1
4CompletedTreatmentCesarean Section / Hypotension / Pregnant State / Spinal Anaesthesia1
4CompletedTreatmentChronic Kidney Disease (CKD) / Peritoneal dialysis therapy1
4CompletedTreatmentChronic Renal Failure (CRF)1
4CompletedTreatmentChronic Renal Failure (CRF) / Peritoneal Membrane Disorder1
4CompletedTreatmentCoronary Artery Bypass Grafting (CABG) / Valve Surgery1
4CompletedTreatmentCoronary Artery Disease (CAD) / Valvular Heart Disease1
4CompletedTreatmentDehydration1
4CompletedTreatmentFluid Overload / Postoperative Complications1
4CompletedTreatmentGoal Directed Fluid Therapy1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
  • American Regent
  • AstraZeneca Inc.
  • Baxter International Inc.
  • Cardinal Health
  • General Injectables and Vaccines Inc.
  • Hospira Inc.
  • J T Baker
  • Luitpold Pharmaceuticals Inc.
  • Physicians Total Care Inc.
  • Spectrum Pharmaceuticals
Dosage Forms
FormRouteStrength
SolutionHemodialysis0.257 g/1000ml
SolutionIrrigation; Parenteral
Powder, for solutionIntraocular
SolutionIntraocular
SolutionOphthalmic
Kit; solutionIntraocular
LiquidOphthalmic
LiquidIntravenous
Injection, solutionParenteral
Injection, solution, concentrateIntravenous
Solution, concentrateParenteral
Injection, solution, concentrateIntravenous; Parenteral
InjectionIntravenous100 mg/1mL
InjectionIntravenous; Intraventricular100 mg/1mL
InjectionParenteral100 mg/1mL
Injection, solutionIntravenous100 mg/1mL
Injection, solutionIntravenous20 mg/1mL
Injection, solutionIntravenous; Intraventricular100 mg/1mL
SolutionIntravenous
Powder, for solutionHemodialysis
PowderHemodialysis
SolutionParenteral
Injection, solutionIntravenous100 MMOL/L
SolutionIntra-arterial
SolutionExtracorporeal
SolutionIntravenous
Injection, solutionParenteral
SolutionIrrigation
SolutionIntraperitoneal
InjectionIntravenous
SolutionIntraperitoneal; Irrigation
Injection, solutionIntraperitoneal
SolutionParenteral
SolutionIntravenous4.21 g/1000ml
SolutionIntrathecal
InjectionIntrathecal
EmulsionParenteral
Solution, concentrateHemodialysis
SprayOral
Aerosol, sprayOral
LiquidHemodialysis
SolutionOral
LiquidIntraperitoneal
SolutionHemodialysis; Intraperitoneal
LiquidIntraocular
Injection, emulsionIntravenous
LiquidIrrigation
Solution, for slushIrrigation
SolutionIntravenous; Irrigation
LiquidBuccal
SprayBuccal
Injection, solutionHemodialysis; Intravenous
Kit; solutionIntraocular; Irrigation
Injection, emulsionParenteral
Injection, emulsion; injection, solutionIntravenous
EmulsionIntravenous
Injection, solution
Injection, solution, concentrateIntravenous
EmulsionIntravenous4 g
SolutionIntraocular; Ophthalmic
SolutionExtracorporeal; Intrabiliary; Intracardiac
RinseDental
EmulsionIntravenous3 g
Injection, solutionIntravenous
Injection, solutionIntra-arterial
LiquidIntravenous
KitHemodialysis
SolutionHemodialysis; Intravenous
SolutionHemodialysis
Kit; solutionTopical
SolutionIntravenous0.1 g/500ml
SolutionIrrigation; Topical
IrrigantIrrigation
SolutionBuccal; Oral; Topical
AerosolOral
Powder, for solutionTopical
InjectionParenteral
SolutionIntraocular; Irrigation
KitTopical
PowderTopical
Kit; solution
SolutionTopical
PowderSoft tissue
Solution
Prices
Unit descriptionCostUnit
SureStep Test 25 Strip Box31.92USD box
Calcium chloride powder0.44USD g
Calcium chloride 10% vial0.18USD ml
Calcium chloride granules0.1USD g
Calcium chloride 10% ampul0.07USD ml
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US6077836No2000-06-202017-06-20US flag
US6248726No2001-06-192018-06-19US flag
US7084130No2006-08-012021-11-29US flag

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)782 °CNot Available
water solubility0.745 g/mL (at 20 °C)Not Available
Predicted Properties
PropertyValueSource
Water Solubility21.4 mg/mLALOGPS
logP1.08ALOGPS
logP-0.57ChemAxon
logS-0.71ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m3·mol-1ChemAxon
Polarizability1.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9445
Blood Brain Barrier+0.975
Caco-2 permeable+0.6764
P-glycoprotein substrateNon-substrate0.9039
P-glycoprotein inhibitor INon-inhibitor0.9891
P-glycoprotein inhibitor IINon-inhibitor0.9866
Renal organic cation transporterNon-inhibitor0.9196
CYP450 2C9 substrateNon-substrate0.8116
CYP450 2D6 substrateNon-substrate0.717
CYP450 3A4 substrateNon-substrate0.7571
CYP450 1A2 substrateNon-inhibitor0.7506
CYP450 2C9 inhibitorNon-inhibitor0.8587
CYP450 2D6 inhibitorNon-inhibitor0.9306
CYP450 2C19 inhibitorNon-inhibitor0.8304
CYP450 3A4 inhibitorNon-inhibitor0.956
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9002
Ames testNon AMES toxic0.6808
CarcinogenicityCarcinogens 0.764
BiodegradationReady biodegradable0.6815
Rat acute toxicity1.9786 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9433
hERG inhibition (predictor II)Non-inhibitor0.9634
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

Drugtargets
Accelerate your drug discovery research
with our fully connected ADMET & drug target dataset.
Learn more
Accelerate your drug discovery research with our ADMET & drug target dataset
Learn more
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Plays a role in the export of proteins that lack a signal peptide and are secreted by an alternative pathway. Binds two calcium ions per subunit. Binds one copper ion. Binding of one copper ion doe...
Gene Name
S100A13
Uniprot ID
Q99584
Uniprot Name
Protein S100-A13
Molecular Weight
11471.095 Da
References
  1. Sivaraja V, Kumar TK, Rajalingam D, Graziani I, Prudovsky I, Yu C: Copper binding affinity of S100A13, a key component of the FGF-1 nonclassical copper-dependent release complex. Biophys J. 2006 Sep 1;91(5):1832-43. Epub 2006 Jun 9. [PubMed:16766622]

Drug created on June 13, 2005 13:24 / Updated on April 11, 2021 00:58