Tyrphostin B48

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

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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
ChemSpider
4485933
BindingDB
4304
ChEMBL
CHEMBL56731
ZINC
ZINC000000015335

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0338 mg/mLALOGPS
logP2.76ALOGPS
logP2.78Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8.43Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area93.35 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity80.35 m3·mol-1Chemaxon
Polarizability28.79 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0490000000-ca15da00e9d635892962
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-eead80a60796f200804d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03du-0910000000-cc89b4d31280cd244659
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ik9-0890000000-da7b52c588397818400d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0il3-0910000000-10696ede8384648e53af
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03yr-2900000000-95026674272fc18af554
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 17, 2022 03:56 / Updated at March 17, 2022 22:25