Combretastatin

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

Identification

Name
Combretastatin
Accession Number
DB12596
Type
Small Molecule
Groups
Investigational
Description

Combretastatin has been investigated for the treatment of Anaplastic Thyroid Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-348103
Categories
UNII
7O62J06F18
CAS number
82855-09-2
Weight
Average: 334.368
Monoisotopic: 334.141638428
Chemical Formula
C18H22O6
InChI Key
LGZKGOGODCLQHG-CYBMUJFWSA-N
InChI
InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1
IUPAC Name
5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol
SMILES
COC1=CC=C(C[[email protected]@H](O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1O

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 Combretastatin.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Combretastatin.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Combretastatin.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Combretastatin.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Combretastatin.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Combretastatin.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Combretastatin.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Combretastatin.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Combretastatin.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Combretastatin.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Combretastatin.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Combretastatin.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Combretastatin.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Combretastatin.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Combretastatin.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Combretastatin.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Combretastatin.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Combretastatin.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Combretastatin.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Combretastatin.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9895264
PubChem Substance
347828814
ChemSpider
8070931
ChEMBL
CHEMBL246600

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPolypoidal Choroidal Vasculopathy (PCV)1
2, 3TerminatedTreatmentAnaplastic Thyroid Cancers1
3WithdrawnTreatmentAnaplastic Thyroid Cancers1

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 Solubility0.0545 mg/mLALOGPS
logP2.23ALOGPS
logP2.34ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.99ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area77.38 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity89.75 m3·mol-1ChemAxon
Polarizability34.18 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Methoxyphenols / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Secondary alcohols / Hydrocarbon derivatives / Aromatic alcohols
Substituents
Stilbene / Methoxyphenol / Phenoxy compound / Anisole / Methoxybenzene / Phenol ether / 1-hydroxy-4-unsubstituted benzenoid / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Phenol
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:06 / Updated on November 09, 2017 05:10