NAV

Pafuramidine

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

Identification

Generic Name
Pafuramidine
DrugBank Accession Number
DB06532
Background

Pafuramidine, a prodrug of furamidine, currently has orphan status for Pneumocystis jiroveci pneumonia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 364.405
Monoisotopic: 364.15354052
Chemical Formula
C20H20N4O3
Synonyms
  • Pafuramidine
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Pharmacology

Indication

Investigated for use/treatment in pneumonia, trypanosomiasis, malaria, HIV infection, and infectious and parasitic disease (unspecified).

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Pafuramidine maleateK27F04K3A9837369-26-3SWMNGXODFOCPKQ-BTJKTKAUSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 2,5-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C5-positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Furans
Sub Class
Diphenylfurans
Direct Parent
2,5-diphenylfurans
Alternative Parents
Benzene and substituted derivatives / Heteroaromatic compounds / Oxacyclic compounds / Amidines / Organooxygen compounds / Hydrocarbon derivatives
Substituents
2,5-diphenylfuran / Amidine / Aromatic heteromonocyclic compound / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H1VG379J2X
CAS number
186953-56-0
InChI Key
UKOQVLAXCBRRGH-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
IUPAC Name
N-methoxy-4-{5-[4-(N-methoxycarbamimidoyl)phenyl]furan-2-yl}benzene-1-carboximidamide
SMILES
CONC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NOC

References

General References
Not Available
ChemSpider
4586633
RxNav
718967
ChEMBL
CHEMBL319669
ZINC
ZINC000006482036
Wikipedia
Pafuramidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Pneumocystis Jirovecii Pneumonia / Pneumonia, Interstitial Plasma Cell1
2CompletedTreatmentTrypanosoma Brucei Gambiense; Infection2
1TerminatedNot AvailableHealthy Volunteers (HV)1
1, 2CompletedPreventionProphylactic Activity Against Malaria1

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 Solubility0.0663 mg/mLALOGPS
logP2.65ALOGPS
logP2.97Chemaxon
logS-3.7ALOGPS
pKa (Strongest Basic)8.83Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area103.36 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity145.42 m3·mol-1Chemaxon
Polarizability40.58 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-01b9-0149000000-24cd092c7e88656d3df9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-f1cf1685255e6c0b813f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0091000000-35a1df42f5ae423e5f38
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0090000000-c5b60546c6db7a012753
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0091000000-b0ef7e30ddc178b36672
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0092000000-c3b22eb4a9e20e551eef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dr-1092000000-d612f3589959cdb0384d
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]-181.64345
predicted
DeepCCS 1.0 (2019)
[M+H]+184.00145
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.88518
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:36 / Updated at February 21, 2021 18:52