Identification
- Generic Name
- Monofluorophosphate ion
- DrugBank Accession Number
- DB02348
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Monofluorophosphate ion (DB02348)
- Weight
- Average: 97.9704
Monoisotopic: 97.956908583 - Chemical Formula
- FO3P
- Synonyms
- Fluoridophosphate
- Fluorophosphate
- Phosphorofluoridate
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UGlycogen phosphorylase, muscle form 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. 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 phosphonates. These are inorganic non-metallic compounds containing a phosphonate as its largest oxoanion.
- Kingdom
- Inorganic compounds
- Super Class
- Homogeneous non-metal compounds
- Class
- Non-metal oxoanionic compounds
- Sub Class
- Non-metal phosphonates
- Direct Parent
- Non-metal phosphonates
- Alternative Parents
- Inorganic oxides
- Substituents
- Inorganic oxide / Non-metal phosphonate
- Molecular Framework
- Not Available
- External Descriptors
- phosphoric acid derivative, fluorine molecular entity (CHEBI:42699)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4964UZ79MI
- CAS number
- 15181-43-8
- InChI Key
- DWYMPOCYEZONEA-UHFFFAOYSA-L
- InChI
- InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2
- IUPAC Name
- phosphorofluoridate
- SMILES
- [O-]P([O-])(F)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 2skc
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 -0.54 Chemaxon pKa (Strongest Acidic) 0.1 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.19 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 11.35 m3·mol-1 Chemaxon Polarizability 4.59 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 + 0.8756 Blood Brain Barrier + 0.978 Caco-2 permeable - 0.5982 P-glycoprotein substrate Non-substrate 0.9077 P-glycoprotein inhibitor I Non-inhibitor 0.9434 P-glycoprotein inhibitor II Non-inhibitor 0.9885 Renal organic cation transporter Non-inhibitor 0.9532 CYP450 2C9 substrate Non-substrate 0.8525 CYP450 2D6 substrate Non-substrate 0.7958 CYP450 3A4 substrate Non-substrate 0.6883 CYP450 1A2 substrate Non-inhibitor 0.7639 CYP450 2C9 inhibitor Non-inhibitor 0.8326 CYP450 2D6 inhibitor Non-inhibitor 0.9004 CYP450 2C19 inhibitor Non-inhibitor 0.7893 CYP450 3A4 inhibitor Non-inhibitor 0.9124 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9694 Ames test Non AMES toxic 0.8527 Carcinogenicity Carcinogens 0.6828 Biodegradation Ready biodegradable 0.5742 Rat acute toxicity 3.3767 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.932 hERG inhibition (predictor II) Non-inhibitor 0.9265
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 110.46015 predictedDeepCCS 1.0 (2019) [M+H]+ 112.32402 predictedDeepCCS 1.0 (2019) [M+Na]+ 119.852234 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Pyridoxal phosphate binding
- Specific Function
- Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known ...
- Gene Name
- PYGM
- Uniprot ID
- P11217
- Uniprot Name
- Glycogen phosphorylase, muscle form
- Molecular Weight
- 97091.265 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 July 02, 2020 13:15