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CHEBI:92053 - 6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione

Default Structure
ChEBI IDCHEBI:92053
ChEBI Name6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione
Stars
DefinitionA quinolone that is quinoline-5,8-dione substituted by chloro and [2-(morpholin-4-yl)ethyl]amino groups at positions 6 and 7, respectively. It is a potent and irreversible inhibitor of Cdc25 isoforms.
Last Modified14 June 2024
DownloadsMolfile
FormulaC15H16ClN3O3
Net Charge0
Average Mass321.764
Monoisotopic Mass321.08802
SMILESO=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21
InChIInChI=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
InChIKeyBMKPVDQDJQWBPD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) has role antineoplastic agent (CHEBI:35610)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) is a p-quinones (CHEBI:25830)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) is a aminoquinoline (CHEBI:36709)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) is a morpholines (CHEBI:38785)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) is a organochlorine compound (CHEBI:36683)
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione (CHEBI:92053) is a quinolone (CHEBI:23765)
IUPAC Name 
6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
Synonyms  Source
6-chloro-7-[[2-(4-morpholinyl)ethyl]amino]-5,8-quinolinedioneChEBI
6-chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dioneChEBI
6-chloro-7-(2-morpholin-4-ylethylamino)-quinoline-5,8-dioneChEBI
CDC25 phosphatase inhibitor IIChEBI
DA-3003-01DrugBank
DA-3003-1ChEBI
Manual XrefsDatabases
CQDPDBeChem
DB17038DrugBank
LSM-2042LINCS
Registry NumbersSources
CAS:383907-43-5ChEBI
Citations