NAV

PD-98059

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

Identification

Generic Name
PD-98059
DrugBank Accession Number
DB17042
Background

PD-98059 is an inhibitor of MAP-kinase kinase activation.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 267.284
Monoisotopic: 267.089543283
Chemical Formula
C16H13NO3
Synonyms
  • 2-(2-amino-3-methoxyphenyl)-4h-1-benzopyran-4-one
  • 2-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one
  • 4h-1-benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)-
External IDs
  • NSC-679828
  • NSC-679829
  • PD 98059
  • PD-098059
  • PD-98059
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Pharmacology

Indication

Not Available

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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
SJE1IO5E3I
CAS number
167869-21-8
InChI Key
QFWCYNPOPKQOKV-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
IUPAC Name
2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one
SMILES
COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1

References

General References
  1. Cross DA, Smythe C: PD 98059 prevents establishment of the spindle assembly checkpoint and inhibits the G2-M transition in meiotic but not mitotic cell cycles in Xenopus. Exp Cell Res. 1998 May 25;241(1):12-22. doi: 10.1006/excr.1998.4023. [Article]
Human Metabolome Database
HMDB0244751
ChemSpider
4551
BindingDB
50108771
ChEBI
77954
ChEMBL
CHEMBL35482
ZINC
ZINC000001420826

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 Solubility0.0273 mg/mLALOGPS
logP2.89ALOGPS
logP1.98Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)19.63Chemaxon
pKa (Strongest Basic)3.22Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.55 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity78.13 m3·mol-1Chemaxon
Polarizability28.02 Å3Chemaxon
Number of Rings3Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 17:45 / Updated at December 01, 2022 11:34