CHEBI:229722 - camonsertib

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ChEBI Name camonsertib
ChEBI ID CHEBI:229722
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H26N6O3
Net Charge 0
Average Mass 410.478
Monoisotopic Mass 410.20664
InChI InChI=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
InChIKey YIHHYCIYAIVQKX-MBIULKOWSA-N
SMILES C[C@@H]1COCCN1C1=CC(=C2C=NN(C3=NNC=C3)C2=N1)[C@@]1(O)C[C@@H]2CC[C@H](C1)O2
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
camonsertib WHO MedNet
camonsertib WHO MedNet
camonsertib WHO MedNet
camonsertibum WHO MedNet
Synonyms Sources
RP 3500 ChEBI
RP-3500 ChEBI
RP3500 ChEBI
Manual Xref Database
D12321 KEGG DRUG
View more database links
Registry Number Type Source
2417489-10-0 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
34911817 PubMed citation Europe PMC
35830811 PubMed citation Europe PMC
37277454 PubMed citation Europe PMC
38078898 PubMed citation Europe PMC
38299539 PubMed citation Europe PMC
38378703 PubMed citation Europe PMC
Last Modified
08 March 2024