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Identification
NameAluminium
Accession NumberDB01370
Typesmall molecule
Groupsapproved
Description

A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. [PubChem]

Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS number7429-90-5
WeightAverage: 26.9815386
Monoisotopic: 26.981538441
Chemical FormulaAl
InChI KeyXAGFODPZIPBFFR-UHFFFAOYSA-N
InChI
InChI=1S/Al
IUPAC Name
alumane
SMILES
[Al]
Mass SpecNot Available
Taxonomy
KingdomInorganic Compounds
SuperclassHomogeneous Metal Compounds
ClassHomogeneous Post-transition Metal Compounds
SubclassNot Available
Direct parentHomogeneous Post-transition Metal Compounds
Alternative parentsNot Available
SubstituentsNot Available
Classification descriptionThis compound belongs to the homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionAluminum Acetate is an astringent. An astrignent is a chemical that tends to shrink or constrict body tissues, usually locally after topical medicinal application. The shrinkage or constriction is through osmotic flow of water (or other fluids) away from the area where the astringent was applied. Astringent medicines cause shrinkage of mucous membranes or exposed tissues and are often used internally to check discharge of blood serum or mucous secretions. This can happen with a sore throat, hemorrhages, diarrhea, or with peptic ulcers. Externally applied astringents, which cause mild coagulation of skin proteins, dry, harden, and protect the skin. Acne sufferers are often advised to use astringents if they have oily skin. Astringents also help heal stretch marks and other scars. Mild astringent solutions are used in the relief of such minor skin irritations as those resulting from superficial cuts, allergies, insect bites, or fungal infections such as athlete's foot.
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
Property Value Probability
Human Intestinal Absorption + 0.9838
Blood Brain Barrier + 0.9733
Caco-2 permeable + 0.7354
P-glycoprotein substrate Non-substrate 0.881
P-glycoprotein inhibitor I Non-inhibitor 0.9787
P-glycoprotein inhibitor II Non-inhibitor 0.9858
Renal organic cation transporter Non-inhibitor 0.9108
CYP450 2C9 substrate Non-substrate 0.8305
CYP450 2D6 substrate Non-substrate 0.8255
CYP450 3A4 substrate Non-substrate 0.8145
CYP450 1A2 substrate Non-inhibitor 0.8813
CYP450 2C9 substrate Non-inhibitor 0.9392
CYP450 2D6 substrate Non-inhibitor 0.9716
CYP450 2C19 substrate Non-inhibitor 0.9571
CYP450 3A4 substrate Non-inhibitor 0.9855
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.882
Ames test Non AMES toxic 0.9633
Carcinogenicity Carcinogens 0.664
Biodegradation Ready biodegradable 0.7326
Rat acute toxicity 2.0135 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.9547
hERG inhibition (predictor II) Non-inhibitor 0.9746
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage forms
FormRouteStrength
AerosolOral
AerosolTopical
CapsuleOral
CreamTopical
EmulsionTopical
GelDental
GelTopical
LiquidDental
LiquidOral
LiquidSublingual
LiquidTopical
LotionTopical
PasteOral
PowderOral
PowderTopical
SolutionTopical
Solution / dropsOral
SprayTopical
StickTopical
SuspensionOral
SuspensionTopical
TabletOral
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental Properties
PropertyValueSource
melting point2.375 g·cm −3Not Available
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
physiological charge0ChemAxon
hydrogen acceptor count0ChemAxon
hydrogen donor count0ChemAxon
polar surface area0ChemAxon
rotatable bond count0ChemAxon
refractivity0ChemAxon
polarizability1.78ChemAxon
number of rings0ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleYesChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis Reference

Bela Czegledi, Mihaly Csovari, Miklos Erdelyi, Lajos Streker, Istvan Toth, Katalin Szabo nee Mogyorosi, Szilard Riederauer, Geza Szentgyorgyi, “Process for producing alumina and ferric oxide from aluminium carriers with high iron and silicon content.” U.S. Patent US4366129, issued 1876.

US4366129
General ReferenceNot Available
External Links
ResourceLink
KEGG CompoundC06264
PubChem Compound5359268
PubChem Substance46504765
ChemSpider4514248
ChEBI28984
ChEMBL
Therapeutic Targets DatabaseDAP000467
PharmGKBPA164760864
Drug Product Database13838
WikipediaAluminium
ATC CodesA02AB07A02AB03D10AX01C10AD04C05AX01A02AB01M05BX02D09AA08D10AX04A02AB05S02AA04
AHFS Codes
  • 88:29.00*
  • 34:00.00
  • 56:04.00
  • 52:28.00
  • 84:12.00
  • 92:02.00*
  • 84:92.00
  • 84:04.92
  • 20:12.12
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Interactions
Drug Interactions
Drug
AmprenavirThe antiacid decreases the absorption of amprenavir
AtazanavirThis gastric pH modifier decreases the levels/effects of atazanavir
ChloroquineThe antiacid decreases the absorption of chloroquine
CiprofloxacinFormation of non-absorbable complexes
ClindamycinThe aluminium salt decreases the absorption of lincosamides
ClodronateFormation of non-absorbable complexes
DapsoneFormation of non-absorbable complexes
DeferasiroxPossible physicochemical interaction
DelavirdineThe antiacid decreases the effect of delavirdine
DemeclocyclineFormation of non-absorbable complexes
DoxycyclineFormation of non-absorbable complexes
Etidronic acidFormation of non-absorbable complexes
FosamprenavirThe antiacid decreases the absorption of amprenavir
GatifloxacinFormation of non-absorbable complexes
GemifloxacinFormation of non-absorbable complexes
GrepafloxacinFormation of non-absorbable complexes
IbandronateFormation of non absorbable complexes
IndinavirThe antacid decreases the absorption of indinavir
ItraconazoleAluminum-containing antacids may decrease the effect of itraconazole.
KetoconazoleAluminum-containing antacids may decrease the effect of ketoconazole.
LevofloxacinFormation of non-absorbable complexes
LincomycinThe aluminium salt decreases the absorption of lincosamides
MinocyclineFormation of non-absorbable complexes
MoxifloxacinFormation of non-absorbable complexes
NorfloxacinFormation of non-absorbable complexes
OfloxacinFormation of non-absorbable complexes
PenciclovirThe multivalent agent decreases the effect of penicillamine
Polystyrene sulfonateRisk of alkalosis in renal impairment
TetracyclineFormation of non-absorbable complexes
TrovafloxacinAluminum may decrease the absorption of orally administered Trovafloxacin. Administer Trovafloxacin 2 hours before or 6 hours after a dose of the aluminum containing agent to minimize the interaction.
Food InteractionsNot Available

Targets

1. Serotransferrin

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Serotransferrin P02787 Details

References:

  1. Nolte E, Beck E, Winklhofer C, Steinhausen C: Compartmental model for aluminium biokinetics. Hum Exp Toxicol. 2001 Feb;20(2):111-7. Pubmed
  2. Nagaoka MH, Maitani T: Binding affinity of aluminium to human serum transferrin and effects of carbohydrate chain modification as studied by HPLC/high-resolution ICP-MS—speciation of aluminium in human serum. J Inorg Biochem. 2005 Sep;99(9):1887-94. Pubmed
  3. Mizutani K, Mikami B, Aibara S, Hirose M: Structure of aluminium-bound ovotransferrin at 2.15 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1636-42. Epub 2005 Nov 19. Pubmed
  4. Beardmore J, Rugg G, Exley C: A systems biology approach to the blood-aluminium problem: The application and testing of a computational model. J Inorg Biochem. 2007 Sep;101(9):1187-91. Epub 2007 Jun 12. Pubmed

2. Sodium/potassium-transporting ATPase subunit alpha-1

Kind: protein

Organism: Human

Pharmacological action: unknown

Actions: binder

Components

Name UniProt ID Details
Sodium/potassium-transporting ATPase subunit alpha-1 P05023 Details

References:

  1. Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41. Pubmed
  2. Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50. Pubmed
  3. Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33. Pubmed
  4. Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82. Pubmed
  5. Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7. Pubmed
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. Pubmed

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Drug created on July 06, 2007 14:27 / Updated on September 16, 2013 17:14