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

Identification

Generic Name
Tyrphostin B56
DrugBank Accession Number
DB16775
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 336.391
Monoisotopic: 336.147392512
Chemical Formula
C20H20N2O3
Synonyms
  • AG 556
  • AG-556
  • AG556
  • Tyrphostin AG-556
  • Tyrphostin AG556

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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
149092-35-3
InChI Key
GWCNJMUSWLTSCW-SFQUDFHCSA-N
InChI
InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25)/b17-12+
IUPAC Name
(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILES
OC1=CC=C(\C=C(/C#N)C(=O)NCCCCC2=CC=CC=C2)C=C1O

References

General References
Not Available
ChemSpider
4485937
BindingDB
4308
ChEMBL
CHEMBL440298
ZINC
ZINC000002557954

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 Solubility0.00852 mg/mLALOGPS
logP3.36ALOGPS
logP3.66ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)8.43ChemAxon
pKa (Strongest Basic)-1.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area93.35 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity97.36 m3·mol-1ChemAxon
Polarizability37.23 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
Not Available

Drug created at March 17, 2022 15:28 / Updated at March 17, 2022 22:25