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CHEBI:156443 - SGC-CLK-1

ChEBI IDCHEBI:156443
ChEBI NameSGC-CLK-1
Stars
DefinitionA 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.
Last Modified2 September 2020
Submitteralison.axtman
DownloadsMolfile
FormulaC19H15F3N6O2
Net Charge0
Average Mass416.363
Monoisotopic Mass416.12086
SMILESCOc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1
InChIInChI=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)
InChIKeyGJYVLTPTDBQQCY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.11.26 (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 2.7.12.* [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.
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).
ChEBI Ontology
Outgoing Relation(s)
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
Citations