NAV

Perzinfotel

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

Identification

Generic Name
Perzinfotel
DrugBank Accession Number
DB12365
Background

Perzinfotel has been used in trials studying the treatment of Diabetes Mellitus and Diabetic Neuropathy, Painful.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 260.186
Monoisotopic: 260.056208525
Chemical Formula
C9H13N2O5P
Synonyms
  • Perzinfotel
External IDs
  • EAA-090
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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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 organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylarylamines
Alternative Parents
Secondary alkylarylamines / 1,4-diazepines / Vinylogous amides / Organic phosphonic acids / Azacyclic compounds / Organopnictogen compounds / Organophosphorus compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aromatic heteropolycyclic compound / Azacycle / Dialkylarylamine / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organoheterocyclic compound / Organooxygen compound / Organophosphonic acid / Organophosphonic acid derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
FX5AUU7Z8T
CAS number
144912-63-0
InChI Key
BDABGOLMYNHHTR-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)
IUPAC Name
(2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl}ethyl)phosphonic acid
SMILES
OP(O)(=O)CCN1CCCNC2=C1C(=O)C2=O

References

General References
Not Available
PubChem Compound
6918236
PubChem Substance
347828617
ChemSpider
5293443
BindingDB
86494
ChEMBL
CHEMBL452461
ZINC
ZINC000026496985
Wikipedia
Perzinfotel

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentDiabetes Mellitus / Painful Diabetic Neuropathy (PDN)1

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 Solubility11.2 mg/mLALOGPS
logP-1.3ALOGPS
logP-2.2Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.79Chemaxon
pKa (Strongest Basic)-5.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area106.94 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity61.18 m3·mol-1Chemaxon
Polarizability23.88 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-001r-3960000000-2dc7b404ba4409b96f23
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-fa7abaf808edfe1f0d9d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-5090000000-834d35faaab40cd41f7e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-3090000000-2fd05736b2158a6c27e9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-0290000000-2174dc9e5689ffb7304c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01t9-9200000000-aab2d0b56685a474eced
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01qa-2930000000-3f58a3de1324d21bb150
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-160.0306113
predicted
DarkChem Lite v0.1.0
[M-H]-136.43932
predicted
DeepCCS 1.0 (2019)
[M+H]+159.3034113
predicted
DarkChem Lite v0.1.0
[M+H]+138.83563
predicted
DeepCCS 1.0 (2019)
[M+Na]+159.1735113
predicted
DarkChem Lite v0.1.0
[M+Na]+145.23798
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:05 / Updated at February 21, 2021 18:53