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CHEBI:156441 - SGC-CK2-1

ChEBI IDCHEBI:156441
ChEBI NameSGC-CK2-1
Stars
DefinitionA pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3, 5, and 7 by cyano, (4-methyl-3-propanamidophenyl)nitrilo and cyclopropylnitrilo groups, respectively. It is a potent and selective chemical probe for the pleiotropic kinase CK2.
Last Modified2 September 2020
Submitteralison.axtman
DownloadsMolfile
FormulaC20H21N7O
Net Charge0
Average Mass375.436
Monoisotopic Mass375.18076
SMILESCCC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C
InChIInChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28)
InChIKeyYKDZIFFKQUNVHH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
SGC-CK2-1 (CHEBI:156441) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
SGC-CK2-1 (CHEBI:156441) is a cyclopropanes (CHEBI:51454)
SGC-CK2-1 (CHEBI:156441) is a nitrile (CHEBI:18379)
SGC-CK2-1 (CHEBI:156441) is a pyrazolopyrimidine (CHEBI:38669)
SGC-CK2-1 (CHEBI:156441) is a secondary amino compound (CHEBI:50995)
SGC-CK2-1 (CHEBI:156441) is a secondary carboxamide (CHEBI:140325)
SGC-CK2-1 (CHEBI:156441) is a substituted aniline (CHEBI:48975)
IUPAC Name 
N-(5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-methylphenyl)propanamide
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