Pafuramidine

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

Identification

Name
Pafuramidine
Accession Number
DB06532
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • DB-289
Product Ingredients
IngredientUNIICASInChI Key
Pafuramidine MaleateK27F04K3A9837369-26-3SWMNGXODFOCPKQ-BTJKTKAUSA-N
Categories
UNII
H1VG379J2X
CAS number
186953-56-0
Weight
Average: 364.405
Monoisotopic: 364.15354052
Chemical Formula
C20H20N4O3
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

Pharmacology

Indication

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

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4586633
ChEMBL
CHEMBL319669
Wikipedia
Pafuramidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedNot AvailableHealthy Volunteers1
2CompletedTreatmentTrypanosoma brucei gambiense infection2
3TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Pneumonia, Interstitial Plasma Cell / Pneumonia, Pneumocystis Carinii1

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
Polarizability40.62 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-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 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 / Benzenoid / Monocyclic benzene moiety / Heteroaromatic compound / Oxacycle / Amidine / Organic nitrogen compound / Organic oxygen compound / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:36 / Updated on November 02, 2018 09:01