SGC-CLK-1 (CHEBI:156443)

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ChEBI Name	SGC-CLK-1

ChEBI ID	CHEBI:156443

Definition	A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl group at position 3 and by a methoxy group at position 6. It is a human GSK-3β, CDK2, CDK4, CLK1, CLK2, and CLK4 kinase inhibitor.

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

Submitter	alison.axtman

Supplier Information

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Formula

C19H15F3N6O2

Net Charge

Average Mass

416.364

Monoisotopic Mass

416.12086

InChI

InChI=1S/C19H15F3N6O2/c1-29-13-8-11(19(20,21)22)7-12(9-13)25-18-23-6-5-15(26-18)14-10-24-28-16(14)3-4-17(27-28)30-2/h3-10H,1-2H3,(H,23,25,26)

InChIKey

GJYVLTPTDBQQCY-UHFFFAOYSA-N

SMILES

COC1=CC(NC2=NC=CC(=N2)C2=C3C=CC(OC)=NN3N=C2)=CC(=C1)C(F)(F)F

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):	EC 2.7.11.26 (tau-protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26). 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). EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of duals specificity kinases acting on Ser/Thr and Tyr residues.

ChEBI Ontology
Outgoing	SGC-CLK-1 (CHEBI:156443) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665) SGC-CLK-1 (CHEBI:156443) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092) SGC-CLK-1 (CHEBI:156443) has role EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor (CHEBI:88285) SGC-CLK-1 (CHEBI:156443) is a (trifluoromethyl)benzenes (CHEBI:83565) SGC-CLK-1 (CHEBI:156443) is a aromatic ether (CHEBI:35618) SGC-CLK-1 (CHEBI:156443) is a monomethoxybenzene (CHEBI:25235) SGC-CLK-1 (CHEBI:156443) is a pyrazolopyridazine (CHEBI:48383) SGC-CLK-1 (CHEBI:156443) is a pyrimidines (CHEBI:39447) SGC-CLK-1 (CHEBI:156443) is a secondary amino compound (CHEBI:50995) SGC-CLK-1 (CHEBI:156443) is a substituted aniline (CHEBI:48975)

IUPAC Name

4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

Citation	Type	Source
15341487	PubMed citation	Europe PMC

Last Modified

02 September 2020