Monofluorophosphate ion

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Monofluorophosphate ion
Accession Number
DB02348  (EXPT01478)
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Fluoridophosphate
  • Fluorophosphate
  • Phosphorofluoridate
Categories
UNII
4964UZ79MI
CAS number
15181-43-8
Weight
Average: 97.9704
Monoisotopic: 97.956908583
Chemical Formula
FO3P
InChI Key
DWYMPOCYEZONEA-UHFFFAOYSA-L
InChI
InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2
IUPAC Name
fluorophosphonate
SMILES
[O-]P([O-])(F)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UGlycogen phosphorylase, muscle formNot AvailableHumans
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
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

References

General References
Not Available
External Links
PubChem Compound
65241
PubChem Substance
46508730
ChemSpider
58737
ChEBI
42699
HET
FPO
PDB Entries
2skc

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-0.54ChemAxon
pKa (Strongest Acidic)0.1ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.35 m3·mol-1ChemAxon
Polarizability4.59 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.8756
Blood Brain Barrier+0.978
Caco-2 permeable-0.5982
P-glycoprotein substrateNon-substrate0.9077
P-glycoprotein inhibitor INon-inhibitor0.9434
P-glycoprotein inhibitor IINon-inhibitor0.9885
Renal organic cation transporterNon-inhibitor0.9532
CYP450 2C9 substrateNon-substrate0.8525
CYP450 2D6 substrateNon-substrate0.7958
CYP450 3A4 substrateNon-substrate0.6883
CYP450 1A2 substrateNon-inhibitor0.7639
CYP450 2C9 inhibitorNon-inhibitor0.8326
CYP450 2D6 inhibitorNon-inhibitor0.9004
CYP450 2C19 inhibitorNon-inhibitor0.7893
CYP450 3A4 inhibitorNon-inhibitor0.9124
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9694
Ames testNon AMES toxic0.8527
CarcinogenicityCarcinogens 0.6828
BiodegradationReady biodegradable0.5742
Rat acute toxicity3.3767 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.932
hERG inhibition (predictor II)Non-inhibitor0.9265
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Non-metal phosphonate / Inorganic oxide
Molecular Framework
Not Available
External Descriptors
phosphoric acid derivative, fluorine molecular entity (CHEBI:42699)

Targets

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
  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]
  3. 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. [PubMed:10592235]

Drug created on June 13, 2005 07:24 / Updated on September 02, 2019 17:19