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

Identification
NamePenclomedine
Accession NumberDB12987
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs NSC-338720
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII66Q80IL7CW
CAS number108030-77-9
WeightAverage: 325.39
Monoisotopic: 322.8841169
Chemical FormulaC8H6Cl5NO2
InChI KeyDZVPGIORVGSQMC-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Penclomedine.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Penclomedine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Penclomedine.Approved
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
OleandrinAnvirzel may decrease the cardiotoxic activities of Penclomedine.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Penclomedine.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignant Lymphomas / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassHalopyridines
Direct ParentPolyhalopyridines
Alternative ParentsAlkyl aryl ethers / Aryl chlorides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organochlorides / Hydrocarbon derivatives / Alkyl chlorides
SubstituentsPolyhalopyridine / Alkyl aryl ether / Aryl chloride / Aryl halide / Heteroaromatic compound / Azacycle / Ether / Hydrocarbon derivative / Organooxygen compound / Organonitrogen compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 19:48 / Updated on September 01, 2017 12:27