Welcome to DrugBank 4.0! If you prefer, you can still go back to version 3.0.
Identification
NamePerchlorate Ion
Accession NumberDB03138  (EXPT02010)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 99.451
Monoisotopic: 98.948511195
Chemical FormulaClO4
InChI KeyInChIKey=VLTRZXGMWDSKGL-UHFFFAOYSA-M
InChI
InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
IUPAC Name
perchlorate
SMILES
[O-][Cl](=O)(=O)=O
Mass SpecNot Available
Taxonomy
KingdomInorganic Compounds
SuperclassHomogeneous Non-metal Compounds
ClassNon-metal Oxoanionic Compounds
SubclassNon-metal Perchlorates
Direct parentNon-metal Perchlorates
Alternative parentsNot Available
SubstituentsNot Available
Classification descriptionThis compound belongs to the non-metal perchlorates. These are inorganic non-metallic compoundscontaining a perchlorate as its largest oxoanion.
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 + 0.7289
Blood Brain Barrier + 0.9734
Caco-2 permeable - 0.6559
P-glycoprotein substrate Non-substrate 0.9047
P-glycoprotein inhibitor I Non-inhibitor 0.9749
P-glycoprotein inhibitor II Non-inhibitor 0.9919
Renal organic cation transporter Non-inhibitor 0.9553
CYP450 2C9 substrate Non-substrate 0.8365
CYP450 2D6 substrate Non-substrate 0.8099
CYP450 3A4 substrate Non-substrate 0.6627
CYP450 1A2 substrate Non-inhibitor 0.8045
CYP450 2C9 substrate Non-inhibitor 0.8269
CYP450 2D6 substrate Non-inhibitor 0.9069
CYP450 2C19 substrate Non-inhibitor 0.7798
CYP450 3A4 substrate Non-inhibitor 0.946
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9755
Ames test Non AMES toxic 0.9133
Carcinogenicity Carcinogens 0.7291
Biodegradation Ready biodegradable 0.8976
Rat acute toxicity 2.4951 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.8485
hERG inhibition (predictor II) Non-inhibitor 0.9661
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
logP-0.098ChemAxon
pKa (strongest acidic)-6.9ChemAxon
physiological charge-1ChemAxon
hydrogen acceptor count4ChemAxon
hydrogen donor count0ChemAxon
polar surface area74.27ChemAxon
rotatable bond count0ChemAxon
refractivity11.91ChemAxon
polarizability5.23ChemAxon
number of rings0ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleNoChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ResourceLink
PubChem Compound123351
PubChem Substance46506970
ChemSpider109953
ChEBI49706
ChEMBL
HETLCP
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

1. Protein ArsC

Kind: protein

Organism: Staphylococcus aureus

Pharmacological action: unknown

Components

Name UniProt ID Details
Protein ArsC P0A006 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

Comments
Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:20