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CHEBI:143114 - CCT251545

ChEBI IDCHEBI:143114
ChEBI NameCCT251545
Stars
DefinitionA chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19.
Last Modified15 March 2019
SubmitterTim Willson
DownloadsMolfile
FormulaC23H24ClN5O
Net Charge0
Average Mass421.932
Monoisotopic Mass421.16694
SMILESCn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
InChIKeyLBFYQISQYCGDDW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Wnt signalling inhibitor  A substance that inhibits any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CCT251545 (CHEBI:143114) has role antineoplastic agent (CHEBI:35610)
CCT251545 (CHEBI:143114) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
CCT251545 (CHEBI:143114) has role Wnt signalling inhibitor (CHEBI:78031)
CCT251545 (CHEBI:143114) is a azaspiro compound (CHEBI:35624)
CCT251545 (CHEBI:143114) is a chloropyridine (CHEBI:39173)
CCT251545 (CHEBI:143114) is a pyrazoles (CHEBI:26410)
IUPAC Name 
8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
Synonyms  Source
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-oneChEBI
8-[3-Chloro-5-[4-(1-methyl-1H-pyrazole-4-yl)phenyl]-4-pyridyl]-2,8-diazaspiro[4.5]decane-1-oneChEBI
CCT251545ChEBI
Manual XrefsDatabases
4TVPDBeChem
Registry NumbersSources
CAS:1661839-45-7ChEBI
Citations