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CHEBI:169940 - AKI00000020a

ChEBI IDCHEBI:169940
ChEBI NameAKI00000020a
Stars
DefinitionA member of the class of imidazopyrimidopyrimidines that is 5,6-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidine substituted by [4-(morpholin-4-yl)phenyl]amino, oxo and 2,6-dichlorophenyl groups at positions 2, 5 and 6, respectively. It is a potent inhibitor of Wee-1 kinase (Ki = <10 nM).
Last Modified14 April 2021
Submitteralison.axtman
DownloadsMolfile
FormulaC24H19Cl2N7O2
Net Charge0
Average Mass508.369
Monoisotopic Mass507.09773
SMILESO=c1c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n2ccnc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl2N7O2/c25-18-2-1-3-19(26)20(18)33-22(34)17-14-28-23(30-21(17)32-9-8-27-24(32)33)29-15-4-6-16(7-5-15)31-10-12-35-13-11-31/h1-9,14H,10-13H2,(H,28,29,30)
InChIKeyCWWLREJNRGUASV-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AKI00000020a (CHEBI:169940) has role antineoplastic agent (CHEBI:35610)
AKI00000020a (CHEBI:169940) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
AKI00000020a (CHEBI:169940) is a dichlorobenzene (CHEBI:23697)
AKI00000020a (CHEBI:169940) is a imidazopyrimidopyrimidine (CHEBI:169941)
AKI00000020a (CHEBI:169940) is a morpholines (CHEBI:38785)
AKI00000020a (CHEBI:169940) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
6-(2,6-dichlorophenyl)-2-[4-(morpholin-4-yl)anilino]imidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-one
Synonyms  Source
6-(2,6-dichlorophenyl)-2-{[4-(morpholin-4-yl)phenyl]amino}imidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-oneChEBI
7-(2,6-dichlorophenyl)-12-(4-morpholin-4-ylanilino)-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-oneIUPAC
Manual XrefsDatabases
US20120220572Patent