Identification
- Generic Name
- Perchlorate
- DrugBank Accession Number
- DB03138
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Perchlorate (DB03138)
- Weight
- Average: 99.451
Monoisotopic: 98.948511195 - Chemical Formula
- ClO4
- Synonyms
- Perchlorate Ion
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UProtein ArsC Not Available Staphylococcus 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Inorganic oxide / Non-metal perchlorate
- Molecular Framework
- Not Available
- External Descriptors
- monovalent inorganic anion, chlorine oxoanion (CHEBI:49706)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VLA4NZX2P4
- CAS number
- 14797-73-0
- 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
References
- General References
- Not Available
- External Links
- PDB Entries
- 1jfv / 1rxe / 1rxi / 2v3v / 2v45 / 4kxi / 4ygl / 5ohh
Clinical Trials
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
Property Value Source Water Solubility 34.7 mg/mL ALOGPS logP -0.96 ALOGPS logP -0.098 Chemaxon logS -0.53 ALOGPS pKa (Strongest Acidic) -7.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 74.27 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 11.91 m3·mol-1 Chemaxon Polarizability 5.23 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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 inhibitor Non-inhibitor 0.8269 CYP450 2D6 inhibitor Non-inhibitor 0.9069 CYP450 2C19 inhibitor Non-inhibitor 0.7798 CYP450 3A4 inhibitor 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
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 107.34991 predictedDeepCCS 1.0 (2019) [M+H]+ 110.15219 predictedDeepCCS 1.0 (2019) [M+Na]+ 118.33179 predictedDeepCCS 1.0 (2019)
Targets
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- 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
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52