Tyrphostin AG 555

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

Identification

Generic Name
Tyrphostin AG 555
DrugBank Accession Number
DB16773
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 322.364
Monoisotopic: 322.131742448
Chemical Formula
C19H18N2O3
Synonyms
  • AG 555
  • AG-555
  • Tyrphostin AG 555
  • Tyrphostin AG-555
  • Tyrphostin B-46
  • Tyrphostin B46

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
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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
133550-34-2
InChI Key
GSQOBTOAOGXIFL-LFIBNONCSA-N
InChI
InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
IUPAC Name
(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILES
OC1=CC=C(\C=C(/C#N)C(=O)NCCCC2=CC=CC=C2)C=C1O

References

General References
Not Available
ChemSpider
4485932
BindingDB
4303
ChEMBL
CHEMBL53898
ZINC
ZINC000002557957

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 Solubility0.0121 mg/mLALOGPS
logP2.95ALOGPS
logP3.22Chemaxon
logS-4.4ALOGPS
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 Count6Chemaxon
Refractivity92.76 m3·mol-1Chemaxon
Polarizability35.06 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/MSsplash10-00di-0219000000-30acf4d47410cbe65b6b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0559000000-8cdfcd1f6afe78dc8d48
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-0943000000-b68b6d6b03d158a89102
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f76-5941000000-cb8b5d6c079cada3cf5c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p6-5910000000-c874f8cff06510d4d2a7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-9711000000-627124d6d47126314f55
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 03:44 / Updated at March 17, 2022 22:25