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

Identification
NameSalirasib
Accession NumberDB12681
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIIMZH0OM550M
CAS number162520-00-5
WeightAverage: 358.54
Monoisotopic: 358.19665138
Chemical FormulaC22H30O2S
InChI KeyWUILNKCFCLNXOK-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
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 Salirasib.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Salirasib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Salirasib.Approved
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
OleandrinAnvirzel may decrease the cardiotoxic activities of Salirasib.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Salirasib.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
2CompletedDiagnosticNon-Small-Cell Lung Carcinoma (NSCLC)1
Properties
StateNot Available
Experimental PropertiesNot 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 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentSesquiterpenoids
Alternative ParentsO-sulfanylbenzoic acids / Benzoic acids / Thiophenol ethers / Benzoyl derivatives / Alkylarylthioethers / Vinylogous thioesters / Sulfenyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organooxygen compounds
SubstituentsSesquiterpenoid / Farsesane sesquiterpenoid / O-sulfanylbenzoic acid / O-sulfanylbenzoic acid or derivatives / Benzoic acid or derivatives / Benzoic acid / Aryl thioether / Benzoyl / Thiophenol ether / Alkylarylthioether
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 17:35 / Updated on September 01, 2017 12:23