CHEBI:231616 - gartisertib

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name gartisertib
ChEBI ID CHEBI:231616
Definition Gartisertib is an inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, which blocks CHK1 phosphorylation, for purposes relating to programmed cell death of tumor cells. This is an orally administered chemical.
Stars This entity has been manually annotated by a third party.
Submitter Alexandra Millett
Supplier Information
Download Molfile XML SDF
Formula C25H29F2N9O3
Net Charge 0
Average Mass 541.564
Monoisotopic Mass 541.23614
InChI InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
InChIKey QAYHKBLKSXWOEO-UHFFFAOYSA-N
SMILES NC1=NN2C=C(F)C=NC2=C1C(=O)NC1=CN=CC(F)=C1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gartisertib (CHEBI:231616) has role antineoplastic agent (CHEBI:35610)
gartisertib (CHEBI:231616) is a aromatic amine (CHEBI:33860)
gartisertib (CHEBI:231616) is a organofluorine compound (CHEBI:37143)
gartisertib (CHEBI:231616) is a oxetanes (CHEBI:38784)
gartisertib (CHEBI:231616) is a piperazines (CHEBI:26144)
gartisertib (CHEBI:231616) is a piperidinecarboxamide (CHEBI:48592)
gartisertib (CHEBI:231616) is a pyrazolopyrimidine (CHEBI:38669)
gartisertib (CHEBI:231616) is a pyridines (CHEBI:26421)
gartisertib (CHEBI:231616) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
2-amino-6-fluoro-N-[5-fluoro-4-(4-{[4-(oxetan-3-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
INNs Sources
gartisertib WHO MedNet
gartisertib WHO MedNet
gartisertib WHO MedNet
gartisertibum WHO MedNet
Synonyms Sources
2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide SUBMITTER
M 4344 DrugBank
M-4344 SUBMITTER
M4344 ChEBI
VX-803 SUBMITTER
Manual Xref Database
DB18770 DrugBank
View more database links
Registry Number Type Source
1613191-99-3 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
34045232 PubMed citation Europe PMC
38227740 PubMed citation Europe PMC
38287179 PubMed citation Europe PMC
38880245 PubMed citation Europe PMC
Last Modified
26 June 2024