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CHEBI:143118 - 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

ChEBI IDCHEBI:143118
ChEBI Name4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
Stars
ASCII Name4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
DefinitionA pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-(3-methoxyanilino)pyrimidin-4-yl group at position 3 and by an ethoxy group at position 6. It is a CLK4 kinase inhibitor.
Last Modified11 March 2019
SubmitterTim Willson
DownloadsMolfile
FormulaC19H18N6O2
Net Charge0
Average Mass362.393
Monoisotopic Mass362.14912
SMILESCCOc1ccc2c(-c3ccnc(Nc4cccc(OC)c4)n3)cnn2n1
InChIInChI=1S/C19H18N6O2/c1-3-27-18-8-7-17-15(12-21-25(17)24-18)16-9-10-20-19(23-16)22-13-5-4-6-14(11-13)26-2/h4-12H,3H2,1-2H3,(H,20,22,23)
InChIKeyPFPKIQYPGNSSKT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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 Relation(s)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) has role EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor (CHEBI:88285)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a aromatic ether (CHEBI:35618)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a pyrazolopyridazine (CHEBI:48383)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a pyrimidines (CHEBI:39447)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a secondary amino compound (CHEBI:50995)
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
Synonym  Source
UNC-CAF-025ChEBI