Pantothenic acid

Identification

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Name
Pantothenic acid
Accession Number
DB01783  (EXPT02501)
Type
Small Molecule
Groups
Approved, Nutraceutical, Vet approved
Description

Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.

Structure
Thumb
Synonyms
  • (+)-Pantothenic acid
  • D-pantothenic acid
  • Pantothenate
  • Vitamin B5
Product Ingredients
IngredientUNIICASInChI Key
Calcium pantothenate568ET80C3D137-08-6FAPWYRCQGJNNSJ-UBKPKTQASA-L
Product Images
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Acti Pantothenic Acid 1000 Timed CapletTabletOralActi Form Ltd.1991-12-312005-03-21Canada
Acti-pantothenic Acid 300 Caplet 300mgTabletOralActi Form Ltd.1991-12-312005-03-21Canada
Calcium Pantothenate Tab 250mgTabletOralTrophic Canada Ltd.1991-12-311996-09-17Canada
Calpan Tab 100mgTabletOralIcn Pharmaceuticals1973-12-311998-08-13Canada
Calpan Tab 250mgTabletOralIcn Pharmaceuticals1973-12-311998-08-13Canada
D Pantothenic Acid Tab 100mgTabletOralGahler Enterprises Ltd.1984-12-312000-08-01Canada
D-pantothenic Acid 250mgCapsuleOralWn Pharmaceuticals Ltd.2001-10-072007-08-07Canada
D-pantothenic Acid 250mg CapCapsuleOralGahler Enterprises Ltd.1993-12-312008-07-17Canada
D'pantothenic Acid Srt 1000mgTablet, extended releaseOralGahler Enterprises Ltd.1981-12-312001-07-26Canada
Dr AngioTablet0.071 g/100gOralAngioLab, Inc.2015-05-042015-06-30Us
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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
24 Multivitamins + MineralsCalcium pantothenate (25 mg) + Ascorbic acid (150 mg) + Beta carotene (10000 unit) + Biotin (25 mcg) + Calcium (130 mg) + Cholecalciferol (400 unit) + Choline bitartrate (25 mg) + Chromium (20 mcg) + Copper (1 mg) + Cyanocobalamin (25 mcg) + Ferrous fumarate (15 mg) + Folic acid (.8 mg) + Inositol (25 mg) + Magnesium (65 mg) + Manganese (2 mg) + Molybdenum (20 mcg) + Niacin (25 mg) + Potassium (15 mg) + Potassium Iodide (.1 mg) + Pyridoxine hydrochloride (25 mg) + Racemethionine (25 mg) + Riboflavin (25 mg) + Selenium (20 mcg) + Thiamine hydrochloride (25 mg) + Vanadium (20 mcg) + Vitamin A palmitate (5000 unit) + Vitamin E (50 unit) + Zinc (10 mg)TabletOralStanley Pharmaceuticals, A Division Of Vita Health Products Inc.1997-04-302002-07-31Canada
50 PlusCalcium pantothenate (20 mg) + Ascorbic acid (200 mg) + Biotin (20 mcg) + Choline bitartrate (20 mg) + Cyanocobalamin (20 mcg) + Folic acid (.2 mg) + Inositol (20 mg) + Niacin (20 mg) + Pyridoxine hydrochloride (20 mg) + Racemethionine (20 mg) + Riboflavin (20 mg) + Thiamine hydrochloride (20 mg) + Vitamin A palmitate (10000 unit) + Vitamin D (400 unit) + Vitamin E (20 unit)TabletOralQuest Vitamins A Div Of Purity Life Health Products1998-08-042001-07-06Canada
50 Plus Multiple Vitamins & MineralsPantothenic acid (10 mg) + Ascorbic acid (90 mg) + Biotin (45 mcg) + Calcium (200 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Magnesium (100 mg) + Manganese (5 mg) + Molybdenum (25 mcg) + Nicotinamide (40 mg) + Potassium Iodide (0.15 mg) + Pyridoxine hydrochloride (3 mg) + Riboflavin (3.2 mg) + Selenium (25 mcg) + Thiamine mononitrate (2.25 mg) + Vanadium (10 mcg) + Vitamin A palmitate (6000 unit) + Zinc (15 mg)TabletOralGfr Pharma Ltd.2002-10-202004-06-15Canada
Adrenergy TabletsPantothenic acid (60 mg) + Ascorbic acid (150 mg) + Manganese (1 mg) + Nicotinamide (80 mg) + Zinc (5 mg)TabletOralMorter HealthsystemNot applicableNot applicableCanada
Adrenogist TabPantothenic acid (100 mg) + Potassium chloride (99 mg) + Pyridoxine hydrochloride (5 mg)TabletOralPure Life International Prods Inc.1992-12-312000-07-27Canada
Adult Formula 50+Calcium pantothenate (20 mg) + Ascorbic acid (120 mg) + Beta carotene (3000 unit) + Biotin (30 mcg) + Calcium (220 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Iodine (0.15 mg) + Magnesium (100 mg) + Manganese (2.5 mg) + Molybdenum (10 mcg) + Nicotinamide (20 mg) + Potassium (37.5 mg) + Pyridoxine hydrochloride (6 mg) + Riboflavin (3.4 mg) + Selenium (10 mcg) + Thiamine hydrochloride (4.5 mg) + Vitamin A palmitate (3000 unit) + Zinc (15 mg) + alpha-Tocopherol acetate (60 unit)TabletOralWn Pharmaceuticals Ltd.2002-04-252009-09-28Canada
Advanced 2000 CapsulesPantothenic acid (15 mg) + Choline (15 mg) + Chromium (50 mcg) + Inositol (15 mg) + Manganese (1 mg) + Pyridoxine hydrochloride (4 mg)CapsuleOralBody Gold, A Division Of Pep Products, Inc.2000-01-012002-08-22Canada
Advanced B & T FormulaCalcium pantothenate (5 mg) + Ascorbic acid (33.3 mg) + Calcium (200 mg) + Chromium (33.33 mcg) + Copper (0.5 mg) + Cyanocobalamin (6.67 mcg) + Folic acid (0.133 mg) + Iron (1.67 mg) + Magnesium (83.3 mg) + Manganese (3.33 mg) + Nicotinamide (6.67 mg) + Phosphorus (100 mg) + Potassium (16.67 mg) + Pyridoxine hydrochloride (6.67 mg) + Riboflavin (2.67 mg) + Selenium (33.33 mcg) + Silicon (0.333 mg) + Sodium molybdate (16.67 mcg) + Thiamine (2.67 mg) + Vanadium (8.33 mg) + Vitamin D (66.67 unit) + Zinc (5 mg)CapsuleOralNutraceutical CorporationNot applicableNot applicableCanada
Alkadrenergy TabletsPantothenic acid (15 mg) + Ascorbic acid (60 mg) + Beta carotene (2500 unit) + Biotin (150 mcg) + Calcium (50 mg) + Choline (100 mg) + Chromic chloride (5 mcg) + Cyanocobalamin (45 mcg) + Folic acid (0.2 mg) + Inositol (25 mg) + Iodine (0.1 mg) + Magnesium (50 mg) + Manganese (0.5 mg) + Molybdenum (3 mcg) + Nicotinamide (40 mg) + Pyridoxine hydrochloride (6.25 mg) + Riboflavin (6.25 mg) + Sodium selenite (37.5 mcg) + Thiamine (6.25 mg) + Zinc (9 mg) + alpha-Tocopherol acetate (15 unit)TabletOralMorter HealthsystemNot applicableNot applicableCanada
Allbee C 800 TabCalcium pantothenate (33 mg) + Ascorbic acid (800 mg) + Cyanocobalamin (17 mcg) + D-alpha-Tocopherol acetate (45 unit) + Nicotinamide (100 mg) + Pyridoxine hydrochloride (30 mg) + Riboflavin (17 mg) + Thiamine mononitrate (15 mg)TabletOralWhitehall Robins Inc.1994-12-312003-08-01Canada
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
BacminCalcium pantothenate (25 mg/1) + Ascorbic acid (500 mg/1) + Biotin (150 ug/1) + Chromium Cr-51 chloride (0.1 mg/1) + Cupric oxide (3 mg/1) + Cyanocobalamin (50 ug/1) + Ferrous fumarate (27 mg/1) + Flavone (50 mg/1) + Folic acid (1 mg/1) + Magnesium oxide (50 mg/1) + Manganese gluconate (5 mg/1) + Nicotinamide (100 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (20 mg/1) + Selenomethionine (50 ug/1) + Thiamine mononitrate (20 mg/1) + Vitamin A acetate (2000 [iU]/1) + Zinc oxide (22.5 mg/1) + alpha-Tocopherol acetate (30 [iU]/1)Tablet, coatedOralMarnel Pharmaceuticals, Llc2000-04-01Not applicableUs
Cavan Heme OBCalcium pantothenate (10 mg/1) + Biotin (30 ug/1) + Cholecalciferol (400 [iU]/1) + Cupric sulfate pentahydrate (0.8 mg/1) + Cyanocobalamin (12 ug/1) + Folic acid (1 mg/1) + Iron (28 mg/1) + Niacin (17 mg/1) + Potassium Iodide (175 ug/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (1.6 mg/1) + Sodium selenate (65 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc oxide (15 mg/1) + alpha-Tocopherol succinate (10 [iU]/1)TabletOralSeton Pharmaceuticals2010-08-032012-06-10Us
CentratexCalcium pantothenate (10 mg/1) + Cupric sulfate (0.8 mg/1) + Cyanocobalamin (15 ug/1) + Folic acid (1 mg/1) + Iron (106 mg/1) + Magnesium sulfate (6.9 mg/1) + Manganese sulfate (1.3 mg/1) + Nicotinamide (30 mg/1) + Pyridoxine hydrochloride (5 mg/1) + Riboflavin (6 mg/1) + Sodium ascorbate (200 mg/1) + Thiamine mononitrate (10 mg/1) + Zinc sulfate, unspecified form (18.2 mg/1)CapsuleOralCenturion Labs2009-06-14Not applicableUs
Concept DHACalcium pantothenate (5 mg/1) + Ascorbic acid (25 mg/1) + Biotin (300 ug/1) + Cupric sulfate pentahydrate (2 mg/1) + Cyanocobalamin (12.5 ug/1) + Ferrous fumarate (53.5 mg/1) + Folic acid (1 mg/1) + Iron (38 mg/1) + Magnesium sulfate (5 mg/1) + Niacin (1.8 mg/1) + Omega-3-acid ethyl esters (200 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3 mg/1) + Thiamine mononitrate (2 mg/1) + Zinc sulfate, unspecified form (10 mg/1)Capsule, liquid filledOralUs Pharmaceutical Corporation2009-06-24Not applicableUs
Concept OBCalcium pantothenate (7 mg/1) + Ascorbic acid (210 mg/1) + Biotin (300 ug/1) + Cupric sulfate pentahydrate (800 ug/1) + Cyanocobalamin (10 ug/1) + Ferrous fumarate (130 mg/1) + Folic acid (1 mg/1) + Iron (92.4 mg/1) + Magnesium sulfate (6.9 mg/1) + Manganese sulfate (1.3 mg/1) + Niacin (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (5 mg/1) + Thiamine mononitrate (5 mg/1) + Zinc sulfate, unspecified form (18.2 mg/1)CapsuleOralUs Pharmaceutical Corporation2009-01-01Not applicableUs
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralAtlantic Biologicals Corps.1988-08-01Not applicableUs
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralHillestad Pharmaceuticals Usa1988-08-01Not applicableUs
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralCarilion Materials Management1988-08-01Not applicableUs
Dialyvite 3000Calcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (1 mg/1) + Folic acid (3 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (1.7 mg/1) + Selenocysteine (70 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (15 mg/1) + alpha-Tocopherol succinate (30 [iU]/1)Tablet, coatedOralHillestad Pharmaceuticals Usa2004-02-01Not applicableUs
Dialyvite 5000Calcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (2 mg/1) + Folic acid (5 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (1.7 mg/1) + Selenocysteine (70 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (25 mg/1) + alpha-Tocopherol succinate (30 [iU]/1)Tablet, coatedOralHillestad Pharmaceuticals Usa2008-05-01Not applicableUs
Categories
UNII
19F5HK2737
CAS number
79-83-4
Weight
Average: 219.235
Monoisotopic: 219.110672659
Chemical Formula
C9H17NO5
InChI Key
GHOKWGTUZJEAQD-ZETCQYMHSA-N
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
IUPAC Name
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O

Pharmacology

Indication

Studied for the treatment of many uses such as treatment of testicular torsion, diabetic ulceration, wound healing, acne, obesity, diabetic peripheral polyneuropathy. It has also been investigated for its hypolipidemic effects and as cholesterol lowering agent.

Associated Therapies
Pharmacodynamics

Pantothenic acid is used in the synthesis of coenzyme A (CoA). CoA is thought to act as a carrier molecule, allowing the entry of acyl groups into cells. This is of critical importance as these acyl groups are used as substrates in the tricarboxylic acid cycle to generate energy and in the synthesis of fatty acids, cholesterol, and acetylcholine. Additionally, CoA is part of acyl carrier protein (ACP), which is required in the synthesis of fatty acids in addition to CoAs use as a substrate.

Pantothenic acid in the form of CoA is also required for acylation and acetylation, which, for example, are involved in signal transduction and enzyme activation and deactivation, respectively.

Since pantothenic acid participates in a wide array of key biological roles, it may have numerous wide-ranging effects.

Mechanism of action

Pantothenic acid is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.

TargetActionsOrganism
UPantothenate kinaseNot AvailableEscherichia coli (strain K12)
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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Absorption

Dietary pantothenic acid is primarily in the form of CoA or ACP and must be converted into free pantothenic acid for absorption. CoA and ACP are hydrolyzed into 4'-phosphopantetheine which is then dephosphorylated into pantetheine and subsequently hydrolyzed again to free pantothenic acid by Pantetheinase in the intestinal lumen. Free pantothenic acid is absorbed into intestinal cells via a saturable, sodium-dependent active transport system with passive diffusion acting as a secondary pathway. As intake increases up to 10-fold absorption rate can decrease to as low as 10% due to transporter saturation.

Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity

No Tolerable Upper Level Intake (UL) has been established for the vitamin.

Affected organisms
  • Humans and other mammals
Pathways
PathwayCategory
Carnosinuria, CarnosinemiaDisease
beta-Alanine MetabolismMetabolic
Pantothenate and CoA BiosynthesisMetabolic
GABA-Transaminase DeficiencyDisease
Ureidopropionase DeficiencyDisease
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
(R)-warfarinThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with (R)-warfarin.
(S)-WarfarinThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with (S)-Warfarin.
4-hydroxycoumarinThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with 4-hydroxycoumarin.
AbciximabThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Abciximab.
AcenocoumarolThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Acenocoumarol.
Acetylsalicylic acidThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Acetylsalicylic acid.
Alpha-1-proteinase inhibitorAlpha-1-proteinase inhibitor may increase the thrombogenic activities of Pantothenic acid.
AlteplaseThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Alteplase.
AmediplaseThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Amediplase.
Aminocaproic acidThe risk or severity of adverse effects can be increased when Aminocaproic acid is combined with Pantothenic acid.
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

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  • Action
    Action

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Food Interactions
Not Available

References

Synthesis Reference

John F. Verbeeck, "Process for the production of the calcium salt of pantothenic acid." U.S. Patent US3935256, issued February, 1971.

US3935256
General References
  1. Trumbo, P. R. (2005). Pantothenic Acid. In Modern Nutrition in Health and Disease (10th ed., pp. 462–467). Lippincott Williams & Wilkins. [ISBN:0-7817-4133-5]
External Links
Human Metabolome Database
HMDB0000210
KEGG Drug
D07413
KEGG Compound
C00864
PubChem Compound
988
PubChem Substance
46505022
ChemSpider
6361
ChEBI
46905
ChEMBL
CHEMBL1594
HET
PAU
Wikipedia
Pantothenic_acid
ATC Codes
D03AX04 — Calcium pantothenateA11HA31 — Calcium pantothenate
AHFS Codes
  • 88:08.00 — Vitamin B Complex
PDB Entries
1sq5 / 2f9w / 2zs9 / 2zse / 3af0 / 3af3 / 3avo / 3bex / 3bf1 / 3uy4
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MSDS
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Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedPreventionDeficiency, Vitamin D / Prophylaxis of preeclampsia1
4CompletedTreatmentDiabetic Peripheral Neuropathic Pain (DPN)1
4CompletedTreatmentHyperemesis Gravidarum / Morning Sickness / Nausea / Pregnancy / Vomiting1
4CompletedTreatmentPregnancy1
4RecruitingTreatmentHyperuricemia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
ElixirOral
SolutionOral
TabletOral
PowderOral
Capsule, liquid filledOral
Capsule, coatedOral
TabletOral0.071 g/100g
Tablet, effervescentOral
Solution / dropsOral
Tablet, delayed releaseOral
LiquidIntravenous
Tablet, chewableOral
Tablet, orally disintegratingOral
TabletOral0.057 g/100g
CapsuleOral
Tablet, extended releaseOral
TabletOral
LiquidOral
Capsule, extended releaseOral
CapsuleOral
Tablet, extended releaseOral
Tablet, film coatedOral
Capsule, gelatin coatedOral
Tablet, coatedOral
KitOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)195ºC (D-Calcium Pantothenate salt)MSDS
water solubilitySolubleMSDS
Predicted Properties
PropertyValueSource
Water Solubility60.5 mg/mLALOGPS
logP-1.1ALOGPS
logP-1.4ChemAxon
logS-0.56ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area106.86 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.51 m3·mol-1ChemAxon
Polarizability21.99 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption-0.6189
Blood Brain Barrier+0.6889
Caco-2 permeable-0.7055
P-glycoprotein substrateSubstrate0.5464
P-glycoprotein inhibitor INon-inhibitor0.836
P-glycoprotein inhibitor IINon-inhibitor0.9184
Renal organic cation transporterNon-inhibitor0.95
CYP450 2C9 substrateNon-substrate0.8235
CYP450 2D6 substrateNon-substrate0.8051
CYP450 3A4 substrateNon-substrate0.5411
CYP450 1A2 substrateNon-inhibitor0.9133
CYP450 2C9 inhibitorNon-inhibitor0.9137
CYP450 2D6 inhibitorNon-inhibitor0.9417
CYP450 2C19 inhibitorNon-inhibitor0.8929
CYP450 3A4 inhibitorNon-inhibitor0.9587
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9305
Ames testNon AMES toxic0.9278
CarcinogenicityNon-carcinogens0.9062
BiodegradationReady biodegradable0.662
Rat acute toxicity1.7394 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9968
hERG inhibition (predictor II)Non-inhibitor0.944
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
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-0zfu-1950000000-e17ccf50735fd5171fc4
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-0f6t-3921000000-6a2222a87b5ffd328cee
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0920000000-9785638e8fe83ade2497
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0zfr-0920000000-5f3d78d9671cf3e9e436
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0910000000-1ad24073d09589d69733
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-QQ , negativeLC-MS/MSsplash10-014i-0090000000-4077cb3290a3d501c967
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000j-9520000000-21cefac627d830ed5bbf
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000j-9400000000-d7cac2e845877b5d4c45
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-9000000000-a56de6ea4cc94ead9287
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-9000000000-958b1047fc59d5fa55ab
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-000i-9100000000-5cf3012f98b80b72b87c
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-00ks-9330000000-5220625c440a0e4d0e1a
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-00ks-9330000000-da413d79b085b05c74fa
MS/MS Spectrum - , negativeLC-MS/MSsplash10-000j-9410000000-e4934ca5cda48554f8bc
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-0090000000-d74155da6ca6fff432c5
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9560000000-663aa7cea0b521907df1
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-006x-9200000000-475c18425c9352988ee1
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-01bc-9000000000-afcfa162e86332d3cfa2
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-014i-9000000000-421f28522574e5fa8eae
LC-MS/MS Spectrum - LC-ESI-IT , positiveLC-MS/MSsplash10-0f6x-9470000000-cfd10935dbbb59770f3f
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-0090000000-460a4bec2421708c0e18
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-2190000000-6eec23d0d7031fc1e28b
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00dl-9460000000-a6391c9eace085a7cd68
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-006x-9450000000-f677ff82e7d7f3f58ba1
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-9530000000-306c232e4d3a79ff2081
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Taxonomy

Classification
Not classified

Targets

Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Pantothenate kinase activity
Specific Function
Not Available
Gene Name
coaA
Uniprot ID
P0A6I3
Uniprot Name
Pantothenate kinase
Molecular Weight
36359.435 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]

Drug created on June 13, 2005 07:24 / Updated on December 09, 2019 19:26