Identification
NamePerchlorate
Accession NumberDB03138  (EXPT02010)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
Synonyms
Perchlorate Ion
External IDs Not Available
Product Ingredients Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIIVLA4NZX2P4
CAS number14797-73-0
WeightAverage: 99.451
Monoisotopic: 98.948511195
Chemical FormulaClO4
InChI KeyVLTRZXGMWDSKGL-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
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
Protein ArsCProteinunknownNot AvailableStaphylococcus aureusP0A006 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
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 Area74.27 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.91 m3·mol-1ChemAxon
Polarizability5.23 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.7289
Blood Brain Barrier+0.9734
Caco-2 permeable-0.6559
P-glycoprotein substrateNon-substrate0.9047
P-glycoprotein inhibitor INon-inhibitor0.9749
P-glycoprotein inhibitor IINon-inhibitor0.9919
Renal organic cation transporterNon-inhibitor0.9553
CYP450 2C9 substrateNon-substrate0.8365
CYP450 2D6 substrateNon-substrate0.8099
CYP450 3A4 substrateNon-substrate0.6627
CYP450 1A2 substrateNon-inhibitor0.8045
CYP450 2C9 inhibitorNon-inhibitor0.8269
CYP450 2D6 inhibitorNon-inhibitor0.9069
CYP450 2C19 inhibitorNon-inhibitor0.7798
CYP450 3A4 inhibitorNon-inhibitor0.946
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9755
Ames testNon AMES toxic0.9133
CarcinogenicityCarcinogens 0.7291
BiodegradationReady biodegradable0.8976
Rat acute toxicity2.4951 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8485
hERG inhibition (predictor II)Non-inhibitor0.9661
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as non-metal perchlorates. These are inorganic non-metallic compounds containing a perchlorate as its largest oxoanion.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct ParentNon-metal perchlorates
Alternative ParentsInorganic oxides
SubstituentsNon-metal perchlorate / Inorganic oxide
Molecular FrameworkNot Available
External Descriptorsmonovalent inorganic anion, chlorine oxoanion (CHEBI:49706 )

Targets

Kind
Protein
Organism
Staphylococcus aureus
Pharmacological action
unknown
General Function:
Protein tyrosine phosphatase activity
Specific Function:
Reduces arsenate [As(V)] to arsenite [As(III)] and dephosphorylates tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates. Could switch between different functions in different circumstances.
Gene Name:
arsC
Uniprot ID:
P0A006
Molecular Weight:
14812.62 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 June 11, 2017 20:44