Penclomedine

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

Identification

Name
Penclomedine
Accession Number
DB12987
Type
Small Molecule
Groups
Investigational
Description

Penclomedine has been used in trials studying the treatment of Lymphoma and Unspecified Adult Solid Tumor, Protocol Specific.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-338720
Categories
UNII
66Q80IL7CW
CAS number
108030-77-9
Weight
Average: 325.39
Monoisotopic: 322.8841169
Chemical Formula
C8H6Cl5NO2
InChI Key
DZVPGIORVGSQMC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3
IUPAC Name
3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
SMILES
COC1=C(Cl)C(OC)=C(Cl)C(=N1)C(Cl)(Cl)Cl

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Penclomedine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Penclomedine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Penclomedine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Penclomedine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Penclomedine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Penclomedine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Penclomedine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Penclomedine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Penclomedine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Penclomedine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Penclomedine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Penclomedine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Penclomedine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Penclomedine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Penclomedine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Penclomedine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Penclomedine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Penclomedine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Penclomedine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
60203
PubChem Substance
347829126
ChemSpider
54283
ChEMBL
CHEMBL273124

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignant Lymphomas / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1

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 Solubility0.0217 mg/mLALOGPS
logP4.75ALOGPS
logP4.13ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)-0.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area31.35 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity66.86 m3·mol-1ChemAxon
Polarizability26.52 Å3ChemAxon
Number of Rings1ChemAxon
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 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 polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Halopyridines
Direct Parent
Polyhalopyridines
Alternative Parents
Alkyl aryl ethers / Aryl chlorides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organochlorides / Hydrocarbon derivatives / Alkyl chlorides
Substituents
Polyhalopyridine / Alkyl aryl ether / Aryl chloride / Aryl halide / Heteroaromatic compound / Azacycle / Ether / Hydrocarbon derivative / Organooxygen compound / Organonitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:48 / Updated on November 09, 2017 05:16