Identification
- Generic Name
- Triphosphoric acid
- DrugBank Accession Number
- DB03896
- Background
Used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Triphosphoric acid (DB03896)
- Weight
- Average: 257.955
Monoisotopic: 257.909555916 - Chemical Formula
- H5O10P3
- Synonyms
- acide triphosphorique
- catena-triphosphoric acid
- Inorganic triphosphate
- Triphosphorsäure
- tripolyphosphoric acid
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UPoly(A) polymerase alpha Not Available Humans - 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.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- 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 phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
- Kingdom
- Inorganic compounds
- Super Class
- Homogeneous non-metal compounds
- Class
- Non-metal oxoanionic compounds
- Sub Class
- Non-metal phosphates
- Direct Parent
- Non-metal phosphates
- Alternative Parents
- Inorganic oxides
- Substituents
- Inorganic oxide / Non-metal phosphate
- Molecular Framework
- Not Available
- External Descriptors
- phosphorus oxoacid, acyclic phosphorus acid anhydride (CHEBI:39949)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NU43IAG5BC
- CAS number
- 10380-08-2
- InChI Key
- UNXRWKVEANCORM-UHFFFAOYSA-N
- InChI
- InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
- IUPAC Name
- {[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
- SMILES
- OP(O)(=O)OP(O)(=O)OP(O)(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0012282
- KEGG Compound
- C00536
- PubChem Compound
- 983
- PubChem Substance
- 46507939
- ChemSpider
- 958
- 1364529
- ChEBI
- 39949
- ChEMBL
- CHEMBL1230191
- ZINC
- ZINC000006827739
- PDBe Ligand
- 3PO
- Wikipedia
- Triphosphoric_acid
- PDB Entries
- 1cul / 1f5a / 1wpl / 2hpm / 2px8 / 3ci3 / 3otb / 3tvl / 4odj / 4tnx … show 25 more
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 logP -1.9 Chemaxon pKa (Strongest Acidic) 0.89 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 170.82 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 36.4 m3·mol-1 Chemaxon Polarizability 14.67 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 - 0.9477 Blood Brain Barrier + 0.9518 Caco-2 permeable - 0.8422 P-glycoprotein substrate Non-substrate 0.81 P-glycoprotein inhibitor I Non-inhibitor 0.9491 P-glycoprotein inhibitor II Non-inhibitor 0.9675 Renal organic cation transporter Non-inhibitor 0.9541 CYP450 2C9 substrate Non-substrate 0.8034 CYP450 2D6 substrate Non-substrate 0.8493 CYP450 3A4 substrate Non-substrate 0.7389 CYP450 1A2 substrate Non-inhibitor 0.9279 CYP450 2C9 inhibitor Non-inhibitor 0.9071 CYP450 2D6 inhibitor Non-inhibitor 0.9272 CYP450 2C19 inhibitor Non-inhibitor 0.9062 CYP450 3A4 inhibitor Non-inhibitor 0.9365 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9741 Ames test Non AMES toxic 0.8874 Carcinogenicity Carcinogens 0.5815 Biodegradation Not ready biodegradable 0.7265 Rat acute toxicity 2.2294 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9111 hERG inhibition (predictor II) Non-inhibitor 0.9519
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6r-2690000000-673654046903650b7152 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03fs-5930000000-5eb4974ca8fed7558024 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01qa-9500000000-b2404c5ea6e713839384 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0090000000-7ab59c02dffe21b7a604 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-056r-9270000000-61dc72f8bf5e400f3882 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-6a7c993cb33cf4d5fedd
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Rna binding
- Specific Function
- Polymerase that creates the 3'-poly(A) tail of mRNA's. Also required for the endoribonucleolytic cleavage reaction at some polyadenylation sites. May acquire specificity through interaction with a ...
- Gene Name
- PAPOLA
- Uniprot ID
- P51003
- Uniprot Name
- Poly(A) polymerase alpha
- Molecular Weight
- 82841.78 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- 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. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52