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CHEBI:229722 - camonsertib

ChEBI IDCHEBI:229722
ChEBI Namecamonsertib
Stars
DefinitionA pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine substituted by 1H-pyrazol-3-yl, (3-endo)-3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl, and (3R)-3-methylmorpholin-4-yl groups at positions 1, 4 and 6, respectively. It is a highly potent and selective inhibitor of ATR kinase (IC50 = 1 nM).
Last Modified7 February 2025
SubmitterAdnan
DownloadsMolfile
FormulaC21H26N6O3
Net Charge0
Average Mass410.478
Monoisotopic Mass410.20664
SMILESC[C@@H]1COCCN1c1cc([C@]2(O)C[C@H]3CC[C@@H](C2)O3)c2cnn(-c3ccnn3)c2n1
InChIInChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21+/m1/s1
InChIKeyYIHHYCIYAIVQKX-MBIULKOWSA-N
Wikipedia
Roles Classification
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)
camonsertib (CHEBI:229722) has role antineoplastic agent (CHEBI:35610)
camonsertib (CHEBI:229722) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
camonsertib (CHEBI:229722) is a imidazoles (CHEBI:24780)
camonsertib (CHEBI:229722) is a morpholines (CHEBI:38785)
camonsertib (CHEBI:229722) is a oxabicycloalkane (CHEBI:46733)
camonsertib (CHEBI:229722) is a pyrazolopyridine (CHEBI:46699)
camonsertib (CHEBI:229722) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3-endo)-3-{6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol
INNs  Source
camonsertibWHO MedNet
camonsertibumWHO MedNet
camonsertibWHO MedNet
camonsertibWHO MedNet
Synonyms  Source
RP-3500ChEBI
RP 3500ChEBI
RP3500ChEBI
Manual XrefsDatabases
D12321KEGG DRUG
CamonsertibWikipedia
DB18888DrugBank
Registry NumbersSources
CAS:2417489-10-0KEGG DRUG
Citations