Salirasib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Salirasib
- DrugBank Accession Number
- DB12681
- Background
Salirasib has been used in trials studying the diagnostic of Carcinoma, Non-Small-Cell Lung.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 358.54
Monoisotopic: 358.19665138 - Chemical Formula
- C22H30O2S
- Synonyms
- Salirasib
Pharmacology
- Indication
Not Available
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- 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
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Salirasib is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Salirasib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Salirasib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Salirasib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Salirasib is combined with Bupivacaine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkylarylthioether / Aromatic homomonocyclic compound / Aryl thioether / Benzenoid / Benzoic acid / Benzoic acid or derivatives / Benzoyl / Carboxylic acid / Carboxylic acid derivative / Farsesane sesquiterpenoid show 14 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MZH0OM550M
- CAS number
- 162520-00-5
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5469318
- PubChem Substance
- 347828885
- ChemSpider
- 4579849
- BindingDB
- 50034278
- ChEMBL
- CHEMBL23293
- ZINC
- ZINC000001650377
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Completed Diagnostic Non-Small Cell Lung Carcinoma 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
Property Value Source Water Solubility 0.000659 mg/mL ALOGPS logP 6.72 ALOGPS logP 6.84 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 3.41 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 112.85 m3·mol-1 Chemaxon Polarizability 43.46 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-052f-5895000000-209c26867248dda30bf2 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-052s-1911000000-dd22b5502e944fd6f0a2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0209000000-42f9eb02bfbb9ea2fc5b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0923000000-454db25dd9b5da2b99ec Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-007a-1900000000-b634ff49f3cf08e79e70 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0900000000-84e6368c559212c38050 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-053b-2900000000-327e4b0adc0e33d2046a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 190.46399 predictedDeepCCS 1.0 (2019) [M+H]+ 192.82198 predictedDeepCCS 1.0 (2019) [M+Na]+ 199.80357 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:35 / Updated at February 21, 2021 18:53