CHEBI:143114 - CCT251545

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ChEBI Name CCT251545
ChEBI ID CHEBI:143114
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tim Willson
Supplier Information
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Formula C23H24ClN5O
Net Charge 0
Average Mass 421.930
Monoisotopic Mass 421.16694
InChI InChI=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)
InChIKey LBFYQISQYCGDDW-UHFFFAOYSA-N
SMILES O=C1NCCC12CCN(CC2)C3=C(C4=CC=C(C5=CN(C)N=C5)C=C4)C=NC=C3Cl
Roles Classification
Biological Role(s): 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.
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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
8-[3-Chloro-5-[4-(1-methyl-1H-pyrazole-4-yl)phenyl]-4-pyridyl]-2,8-diazaspiro[4.5]decane-1-one ChEBI
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one ChEBI
CCT251545 ChEBI
Manual Xref Database
4TV PDBeChem
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Registry Number Type Source
1661839-45-7 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
25680029 PubMed citation Europe PMC
26502155 PubMed citation Europe PMC
29786110 PubMed citation Europe PMC
Last Modified
15 March 2019