Salirasib

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

Identification

Name
Salirasib
Accession Number
DB12681
Type
Small Molecule
Groups
Investigational
Description

Salirasib has been used in trials studying the diagnostic of Carcinoma, Non-Small-Cell Lung.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
MZH0OM550M
CAS number
162520-00-5
Weight
Average: 358.54
Monoisotopic: 358.19665138
Chemical Formula
C22H30O2S
InChI Key
WUILNKCFCLNXOK-CFBAGHHKSA-N
InChI
InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
IUPAC Name
2-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}benzoic acid
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1C(O)=O

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

References

General References
Not Available
External Links
PubChem Compound
5469318
PubChem Substance
347828885
ChemSpider
4579849
BindingDB
50034278
ChEMBL
CHEMBL23293

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticLung Cancer Non-Small Cell Cancer (NSCLC)1

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 Solubility0.000659 mg/mLALOGPS
logP6.72ALOGPS
logP6.84ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.41ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity112.85 m3·mol-1ChemAxon
Polarizability43.46 Å3ChemAxon
Number of Rings1ChemAxon
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-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Sesquiterpenoids
Direct Parent
Sesquiterpenoids
Alternative Parents
O-sulfanylbenzoic acids / Benzoic acids / Thiophenol ethers / Benzoyl derivatives / Alkylarylthioethers / Vinylogous thioesters / Sulfenyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organooxygen compounds
show 2 more
Substituents
Sesquiterpenoid / Farsesane sesquiterpenoid / O-sulfanylbenzoic acid / O-sulfanylbenzoic acid or derivatives / Benzoic acid or derivatives / Benzoic acid / Aryl thioether / Benzoyl / Thiophenol ether / Alkylarylthioether
show 14 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:35 / Updated on November 09, 2017 05:11