Tyrphostin AG 879
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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
- Tyrphostin AG 879
- DrugBank Accession Number
- DB16776
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 316.46
Monoisotopic: 316.160934575 - Chemical Formula
- C18H24N2OS
- Synonyms
- AG 879
- AG-879
- AG879
- Tyrphostin AG-879
- Tyrphostin AG879
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
- Not Available
Interactions
- Drug Interactions
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 148741-30-4
- InChI Key
- XRZYELWZLNAXGE-KPKJPENVSA-N
- InChI
- InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
- IUPAC Name
- (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enimidothioic acid
- SMILES
- [H]\C(=C(\C#N)C(S)=N)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 13245408
- BindingDB
- 50468261
- ChEMBL
- CHEMBL539947
- ZINC
- ZINC000003871425
Clinical Trials
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 0.0107 mg/mL ALOGPS logP 5.74 ALOGPS logP 4.9 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 2.39 Chemaxon pKa (Strongest Basic) 10.19 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 67.87 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.31 m3·mol-1 Chemaxon Polarizability 36.2 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0079000000-c74acdb4737c89e8e890 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00lr-0096000000-080be7e6d29a897cf560 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fbc-0092000000-f0f7ee4330bf379350e2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0092000000-4ef82cd52d9d2e0418c2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001j-0090000000-ac12fa9623d5969db7cb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-2090000000-e9fe114db0cac614f9d6 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at March 17, 2022 16:00 / Updated at March 17, 2022 22:25