NAV

Priralfinamide

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

Identification

Generic Name
Priralfinamide
DrugBank Accession Number
DB06649
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 302.349
Monoisotopic: 302.143056023
Chemical Formula
C17H19FN2O2
Synonyms
  • Priralfinamide
  • Ralfinamide
External IDs
  • NW-1029
  • PNU-0154339E
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Pharmacology

Indication

Investigated for use/treatment in pain (acute or chronic).

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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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Alanine and derivatives / Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Fluorobenzenes / Aralkylamines / Alkyl aryl ethers / Aryl fluorides / Primary carboxylic acid amides
show 5 more
Substituents
Alanine or derivatives / Alkyl aryl ether / Alpha-amino acid amide / Amine / Aralkylamine / Aromatic homomonocyclic compound / Aryl fluoride / Aryl halide / Benzenoid / Benzylamine
show 20 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3LPF0S0GVV
CAS number
133865-88-0
InChI Key
BHJIBOFHEFDSAU-LBPRGKRZSA-N
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
IUPAC Name
(2S)-2-[({4-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]propanamide
SMILES
C[C@H](NCC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(N)=O

References

General References
Not Available
ChemSpider
4676525
BindingDB
161094
ChEMBL
CHEMBL2107771
ZINC
ZINC000072190123

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentPain1
2CompletedBasic ScienceNeuropathic Pain1

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
Water Solubility0.0115 mg/mLALOGPS
logP2.61ALOGPS
logP2.48Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.76Chemaxon
pKa (Strongest Basic)7.93Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity83 m3·mol-1Chemaxon
Polarizability32.35 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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-MSsplash10-0a4i-3960000000-fa1de41eef042284d6f9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0369000000-5f454e1e4ff68f59a720
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-7195000000-b6beed28e8927e8ef84a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2490000000-5bca36dcca55067d22df
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9200000000-48fc6c64cee50d181412
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-8910000000-f5d0c0e52a9da1d8f784
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9500000000-892e269ba9e0c61f64a6
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]-163.72626
predicted
DeepCCS 1.0 (2019)
[M+H]+166.08427
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.5668
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:44 / Updated at February 21, 2021 18:52