Diphencyprone

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

Identification

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Name
Diphencyprone
Accession Number
DB12173
Type
Small Molecule
Groups
Investigational
Description

Diphencyprone has been used in trials studying the treatment and basic science of Melanoma, Ultraviolet Rays, Immunosuppression, Neoplasm Metastasis, and Hypersensitivity, Delayed, among others.

Structure
Thumb
Synonyms
  • DIPHENYLCYCLOPROPENONE
Categories
UNII
I7G14NW5EC
CAS number
886-38-4
Weight
Average: 206.244
Monoisotopic: 206.073164942
Chemical Formula
C15H10O
InChI Key
HCIBTBXNLVOFER-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
IUPAC Name
diphenylcycloprop-2-en-1-one
SMILES
O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
PubChem Compound
65057
PubChem Substance
347828461
ChemSpider
58568
ChEBI
53074
ChEMBL
CHEMBL1373467
Wikipedia
Diphenylcyclopropenone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHypersensitivity, Delayed / Immune Tolerance/Drug Effects / Immunosuppression / Ultraviolet Rays1
1CompletedTreatmentMelanoma / Neoplasms Metastasis1
3RecruitingTreatmentAlopecia Areata (AA)1
Not AvailableCompletedNot AvailableHealthy Volunteers1

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 Solubility0.00987 mg/mLALOGPS
logP3.72ALOGPS
logP3.85ChemAxon
logS-4.3ALOGPS
pKa (Strongest Basic)-8.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity64.42 m3·mol-1ChemAxon
Polarizability22.74 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a6r-0980000000-df3e8a9cbfaa4e19de32

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Not Available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Cyclic ketones / Organic oxides / Hydrocarbon derivatives
Substituents
Monocyclic benzene moiety / Cyclic ketone / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound / Aromatic homomonocyclic compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
cyclopropenone (CHEBI:53074)

Drug created on October 20, 2016 15:32 / Updated on September 02, 2019 19:37