Tyrphostin AG 879

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

Reduce drug development failure rates
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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
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
ChemSpider
13245408
BindingDB
50468261
ChEMBL
CHEMBL539947
ZINC
ZINC000003871425

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 Solubility0.0107 mg/mLALOGPS
logP5.74ALOGPS
logP4.9Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)2.39Chemaxon
pKa (Strongest Basic)10.19Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area67.87 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity106.31 m3·mol-1Chemaxon
Polarizability36.2 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-014i-0079000000-c74acdb4737c89e8e890
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-0096000000-080be7e6d29a897cf560
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fbc-0092000000-f0f7ee4330bf379350e2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0092000000-4ef82cd52d9d2e0418c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-0090000000-ac12fa9623d5969db7cb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2090000000-e9fe114db0cac614f9d6
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 16:00 / Updated at March 17, 2022 22:25