NAV

NSC-663284

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

Identification

Generic Name
NSC-663284
DrugBank Accession Number
DB17038
Background

NSC-663284 is a potent quinolinedione Cdc25 phosphatase inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 321.76
Monoisotopic: 321.0880191
Chemical Formula
C15H16ClN3O3
Synonyms
  • 5,8-quinolinedione, 6-chloro-7-((2-(4-morpholinyl)ethyl)amino)-
  • 6-chloro-7-((2-morpholinoethyl)amino)quinoline-5,8-dione
External IDs
  • DA-3003-01
  • DA-3003-1
  • NSC-663284
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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
CY8W2F69MW
CAS number
383907-43-5
InChI Key
BMKPVDQDJQWBPD-UHFFFAOYSA-N
InChI
InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
IUPAC Name
6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}-5,8-dihydroquinoline-5,8-dione
SMILES
ClC1=C(NCCN2CCOCC2)C(=O)C2=C(C=CC=N2)C1=O

References

General References
  1. Guo J, Parise RA, Joseph E, Lan J, Pan SS, Joo B, Egorin MJ, Wipf P, Lazo JS, Eiseman JL: Pharmacology and antitumor activity of a quinolinedione Cdc25 phosphatase inhibitor DA3003-1 (NSC 663284). Anticancer Res. 2007 Sep-Oct;27(5A):3067-73. [Article]
ChemSpider
335885
BindingDB
420306
ChEBI
92053
ChEMBL
CHEMBL337173
ZINC
ZINC000100002044
PDBe Ligand
CQD
PDB Entries
4lmt

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 Solubility0.458 mg/mLALOGPS
logP1.16ALOGPS
logP0.13Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)16.16Chemaxon
pKa (Strongest Basic)5.34Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area71.53 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity83.94 m3·mol-1Chemaxon
Polarizability32.15 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 17:34 / Updated at December 01, 2022 11:34