NSC-663284
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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
- 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
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- 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]
- External Links
- ChemSpider
- 335885
- BindingDB
- 420306
- ChEBI
- 92053
- ChEMBL
- CHEMBL337173
- ZINC
- ZINC000100002044
- PDBe Ligand
- CQD
- PDB Entries
- 4lmt
Clinical Trials
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
Property Value Source Water Solubility 0.458 mg/mL ALOGPS logP 1.16 ALOGPS logP 0.13 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 16.16 Chemaxon pKa (Strongest Basic) 5.34 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 71.53 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 83.94 m3·mol-1 Chemaxon Polarizability 32.15 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 17:34 / Updated at December 01, 2022 11:34