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CHEBI:78414 - CZC-25146

ChEBI IDCHEBI:78414
ChEBI NameCZC-25146
Stars
DefinitionA member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(morpholin-4-yl)phenyl and 2-(methanesulfonylamino)phenyl substituents. It is an inhibitor of the Parkinson's disease kinase LRRK2.
Last Modified21 July 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H25ClN6O4S
Net Charge0
Average Mass505.000
Monoisotopic Mass504.13465
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
InChIInChI=1S/C22H25ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)
InChIKeyCLGWUCNXOBLWFM-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)
CZC-25146 (CHEBI:78414) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
CZC-25146 (CHEBI:78414) is a aminopyrimidine (CHEBI:38338)
CZC-25146 (CHEBI:78414) is a aromatic ether (CHEBI:35618)
CZC-25146 (CHEBI:78414) is a morpholines (CHEBI:38785)
CZC-25146 (CHEBI:78414) is a organochlorine compound (CHEBI:36683)
CZC-25146 (CHEBI:78414) is a secondary amino compound (CHEBI:50995)
CZC-25146 (CHEBI:78414) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide
Registry NumbersSources
Reaxys:19687577Reaxys
Citations