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Identification
NameTetrafluoroaluminate Ion
Accession NumberDB04444  (EXPT00497)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 102.9751514
Monoisotopic: 102.975151261
Chemical FormulaAlF4
InChI KeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
InChI
InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
IUPAC Name
(trifluoro-$l^{4}-alumanyl)-$l^{2}-fluoranide
SMILES
F[Al](F)(F)[F-]
Mass SpecNot Available
Taxonomy
KingdomInorganic Compounds
SuperclassMixed Metal/Non-metal Compounds
ClassPost-transition Metal Salts
SubclassPost-transition Metal Fluorides
Direct parentPost-transition Metal Fluorides
Alternative parentsNot Available
SubstituentsNot Available
Classification descriptionThis compound belongs to the post-transition metal fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a post-transition metal.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
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 + 0.9363
Blood Brain Barrier + 0.987
Caco-2 permeable + 0.5263
P-glycoprotein substrate Non-substrate 0.8968
P-glycoprotein inhibitor I Non-inhibitor 0.9653
P-glycoprotein inhibitor II Non-inhibitor 0.976
Renal organic cation transporter Non-inhibitor 0.9332
CYP450 2C9 substrate Non-substrate 0.8373
CYP450 2D6 substrate Non-substrate 0.6634
CYP450 3A4 substrate Non-substrate 0.7086
CYP450 1A2 substrate Non-inhibitor 0.6831
CYP450 2C9 substrate Non-inhibitor 0.7845
CYP450 2D6 substrate Non-inhibitor 0.9077
CYP450 2C19 substrate Non-inhibitor 0.7717
CYP450 3A4 substrate Non-inhibitor 0.9138
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9373
Ames test Non AMES toxic 0.9235
Carcinogenicity Carcinogens 0.664
Biodegradation Not ready biodegradable 0.8821
Rat acute toxicity 2.7180 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.9567
hERG inhibition (predictor II) Non-inhibitor 0.8895
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
physiological charge-1ChemAxon
hydrogen acceptor count0ChemAxon
hydrogen donor count0ChemAxon
polar surface area0ChemAxon
rotatable bond count0ChemAxon
refractivity6.01ChemAxon
polarizability4.37ChemAxon
number of rings0ChemAxon
bioavailability1ChemAxon
rule of fiveNoChemAxon
Ghose filterNoChemAxon
Veber's ruleYesChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ResourceLink
PubChem Substance46509122
ChemSpider10722628
ChEBI30111
ChEMBL
HETALF
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Acetylglutamate kinase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
Acetylglutamate kinase P0A6C8 Details

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
  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

2. Guanine nucleotide-binding protein G(i) subunit alpha-1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Guanine nucleotide-binding protein G(i) subunit alpha-1 P63096 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

3. Sarcoplasmic/endoplasmic reticulum calcium ATPase 1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 O14983 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

4. Guanine nucleotide-binding protein G(t) subunit alpha-1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Guanine nucleotide-binding protein G(t) subunit alpha-1 P11488 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

5. UMP-CMP kinase

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
UMP-CMP kinase P30085 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

6. Myosin-11

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Myosin-11 P35749 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

7. Myosin-14

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Myosin-14 Q7Z406 Details

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
  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
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

8. Protein RecA

Kind: protein

Organism: Mycobacterium paratuberculosis (strain ATCC BAA-968 / K-10)

Pharmacological action: unknown

Components

Name UniProt ID Details
Protein RecA P62219 Details

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
  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

9. Ribokinase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
Ribokinase P0A9J6 Details

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
  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

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:24