Tyrphostin B48
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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 B48
- DrugBank Accession Number
- DB16774
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 280.283
Monoisotopic: 280.084792254 - Chemical Formula
- C16H12N2O3
- Synonyms
- AG 494
- AG-494
- Alpha-Cyano-(3,4-dihydroxy)-N-phenylcinnamide
- Tyrphostin AG-494
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
- 133550-35-3
- InChI Key
- HKHOVJYOELRGMV-XYOKQWHBSA-N
- InChI
- InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
- IUPAC Name
- (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
- SMILES
- OC1=CC=C(\C=C(/C#N)C(=O)NC2=CC=CC=C2)C=C1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 4485933
- BindingDB
- 4304
- ChEMBL
- CHEMBL56731
- ZINC
- ZINC000000015335
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 0.0338 mg/mL ALOGPS logP 2.76 ALOGPS logP 2.78 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 8.43 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 93.35 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 80.35 m3·mol-1 Chemaxon Polarizability 28.79 Å3 Chemaxon Number of Rings 2 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 splash10-001i-0490000000-ca15da00e9d635892962 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-eead80a60796f200804d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03du-0910000000-cc89b4d31280cd244659 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ik9-0890000000-da7b52c588397818400d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0il3-0910000000-10696ede8384648e53af Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03yr-2900000000-95026674272fc18af554 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 03:56 / Updated at March 17, 2022 22:25