NAV

p-Quaterphenyl

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

Identification

Generic Name
p-Quaterphenyl
DrugBank Accession Number
DB12794
Background

p-Quaterphenyl has been used in trials studying the treatment of Malaria.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 306.408
Monoisotopic: 306.14085058
Chemical Formula
C24H18
Synonyms
  • PQP
External IDs
  • NSC-24860
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Pharmacology

Indication

Not Available

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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Terphenyls
Direct Parent
P-terphenyls
Alternative Parents
Biphenyls and derivatives / Aromatic hydrocarbons / Unsaturated hydrocarbons
Substituents
Aromatic homomonocyclic compound / Aromatic hydrocarbon / Biphenyl / Hydrocarbon / Para-terphenyl / Unsaturated hydrocarbon
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
benzenoid aromatic compound (CHEBI:52240)
Affected organisms
Not Available

Chemical Identifiers

UNII
G8AQM6D0RK
CAS number
135-70-6
InChI Key
GPRIERYVMZVKTC-UHFFFAOYSA-N
InChI
InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
IUPAC Name
4-{[1,1'-biphenyl]-4-yl}-1,1'-biphenyl
SMILES
C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
8677
PubChem Substance
347828971
ChemSpider
8353
ChEBI
52240
ZINC
ZINC000001615334

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility4.7e-06 mg/mLALOGPS
logP7.3ALOGPS
logP6.91Chemaxon
logS-7.8ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.47 m3·mol-1Chemaxon
Polarizability37.41 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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-1269000000-286ed38d13213f7b1b6c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-c951d00e2df549bc26c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-4a7761067e804aebcbb5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-9e03b2a9b9b899d0ef97
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0039000000-5c4445d66fff82a81424
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-0090000000-fae398cb0bc75025a90c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-ea611ec3f3d9560d9cb0
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]-197.6167895
predicted
DarkChem Lite v0.1.0
[M-H]-179.67897
predicted
DeepCCS 1.0 (2019)
[M+H]+182.03694
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.94289
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:19 / Updated at June 12, 2020 16:53