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CHEBI:195521 - leucettine L41

ChEBI IDCHEBI:195521
ChEBI Nameleucettine L41
Stars
DefinitionA member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 μM, respectively).
Last Modified4 August 2023
Submitterdoughowe
DownloadsMolfile
FormulaC17H13N3O3
Net Charge0
Average Mass307.309
Monoisotopic Mass307.09569
SMILESO=C1NC(Nc2ccccc2)=N/C1=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-
InChIKeyPGPHHJBZEGSUNE-JYRVWZFOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
EC 2.7.12.1 (dual-specificity kinase) inhibitor  An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of dual-specificity kinase (EC 2.7.12.1).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
nootropic agent  Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration.
ChEBI Ontology
Outgoing Relation(s)
leucettine L41 (CHEBI:195521) has role autophagy inducer (CHEBI:138880)
leucettine L41 (CHEBI:195521) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
leucettine L41 (CHEBI:195521) has role EC 2.7.12.1 (dual-specificity kinase) inhibitor (CHEBI:195525)
leucettine L41 (CHEBI:195521) has role neuroprotective agent (CHEBI:63726)
leucettine L41 (CHEBI:195521) has role nootropic agent (CHEBI:66980)
leucettine L41 (CHEBI:195521) is a benzodioxoles (CHEBI:38298)
leucettine L41 (CHEBI:195521) is a imidazolone (CHEBI:20432)
leucettine L41 (CHEBI:195521) is a substituted aniline (CHEBI:48975)
IUPAC Name 
(5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-3,5-dihydro-4H-imidazol-4-one
Registry NumbersSources
CAS:1112978-84-3ChEBI
Citations