Creatinolfosfate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Creatinolfosfate
Accession Number
DB13071
Type
Small Molecule
Groups
Investigational
Description

COP is under investigation for the treatment of Rheumatoid Arthritis, Mature B-Cell Lymphoma, and Noninflammatory Degenerative Joint Disease. COP has been investigated for the treatment of Diabetic Retinopathy.

Structure
Thumb
Synonyms
  • COP
Categories
UNII
5O564RN1QD
CAS number
6903-79-3
Weight
Average: 197.131
Monoisotopic: 197.056542876
Chemical Formula
C4H12N3O4P
InChI Key
FOIPWTMKYXWFGC-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)
IUPAC Name
[2-(N-methylcarbamimidamido)ethoxy]phosphonic acid
SMILES
CN(CCOP(O)(O)=O)C(N)=N

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
23342
PubChem Substance
347829199
ChemSpider
21827
ChEBI
134856
ChEMBL
CHEMBL2104114
Wikipedia
Creatinolfosfate
ATC Codes
C01EB05 — Creatinolfosfate

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
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility9.81 mg/mLALOGPS
logP-1.8ALOGPS
logP-1.9ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)1.48ChemAxon
pKa (Strongest Basic)12.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area119.87 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity53.09 m3·mol-1ChemAxon
Polarizability16.96 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 organic compounds known as phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Sub Class
Phosphate esters
Direct Parent
Phosphoethanolamines
Alternative Parents
Monoalkyl phosphates / Guanidines / Carboximidamides / Organopnictogen compounds / Organooxygen compounds / Organic oxides / Imines / Hydrocarbon derivatives
Substituents
Phosphoethanolamine / Monoalkyl phosphate / Alkyl phosphate / Guanidine / Carboximidamide / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:41 / Updated on September 02, 2019 19:52