leucettine L41 (CHEBI:195521)

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ChEBI Name	leucettine L41

ChEBI ID	CHEBI:195521

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Doug Howe

Supplier Information

Download	Molfile XML SDF

Formula

C17H13N3O3

Net Charge

Average Mass

307.309

Monoisotopic Mass

307.09569

InChI

InChI=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-

InChIKey

PGPHHJBZEGSUNE-JYRVWZFOSA-N

SMILES

O=C1NC(NC2=CC=CC=C2)=N\C1=C/C1=CC2=C(OCO2)C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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). 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).

Application(s):	nootropic agent Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	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 Number	Type	Source
1112978-84-3	CAS Registry Number	ChEBI

Last Modified

04 August 2023