Perchlorate

Identification

Name
Perchlorate
Accession Number
DB03138  (EXPT02010)
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Perchlorate Ion
Categories
UNII
VLA4NZX2P4
CAS number
14797-73-0
Weight
Average: 99.451
Monoisotopic: 98.948511195
Chemical Formula
ClO4
InChI Key
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UProtein ArsCNot AvailableStaphylococcus aureus
Absorption
Not Available
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
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
123351
PubChem Substance
46506970
ChemSpider
109953
BindingDB
36131
ChEBI
49706
HET
LCP
Wikipedia
Perchlorate

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not 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
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of inorganic compounds known as non-metal perchlorates. These are inorganic non-metallic compounds containing a perchlorate as its largest oxoanion.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Non-metal oxoanionic compounds
Sub Class
Non-metal perchlorates
Direct Parent
Non-metal perchlorates
Alternative Parents
Inorganic oxides
Substituents
Non-metal perchlorate / Inorganic oxide
Molecular Framework
Not Available
External Descriptors
monovalent 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 differen...
Gene Name
arsC
Uniprot ID
P0A006
Uniprot Name
Protein ArsC
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 November 02, 2018 05:29