CHEBI:156441 - SGC-CK2-1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SGC-CK2-1
ChEBI ID CHEBI:156441
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter alison.axtman
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H21N7O
Net Charge 0
Average Mass 375.436
Monoisotopic Mass 375.18076
InChI InChI=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)
InChIKey YKDZIFFKQUNVHH-UHFFFAOYSA-N
SMILES CCC(=O)NC1=CC(NC2=NC3=C(C=NN3C(NC3CC3)=C2)C#N)=CC=C1C
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 2.7.11.1 (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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
QBE PDBeChem
View more database links
Last Modified
02 September 2020
General Comment
2020-09-02 DOI: 10.26434/chemrxiv.12296180