Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H16N4O3S |
| Molecular Weight | 368.41 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C3)=C(N)N=C2
InChI
InChIKey=DUIHHZKTCSNTGM-UHFFFAOYSA-N
InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
| Molecular Formula | C18H16N4O3S |
| Molecular Weight | 368.41 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21490603 | https://www.ncbi.nlm.nih.gov/pubmed/26286029Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22825331
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21490603 | https://www.ncbi.nlm.nih.gov/pubmed/26286029
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22825331
VE-821 is a potent ATP-competitive inhibitor of ATR (Ki
of 13nM). VE-821 shows excellent selectivity for
ATR with minimal cross-reactivity against the related PIKKs ATM,
DNA-dependent protein kinase (DNA-PK), mammalian target of
rapamycin and phosphoinositol 3-kinase-γ (Ki
s of 16 uM, 2.2 uM,
>1 uM and 3.9 uM, respectively) and against a large panel of unrelated
protein kinases. VE-821 has being shown to increase sensitivity of pancreatic cancer cells to radiation and chemotherapy.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Inhibition of ATR kinase with the selective inhibitor VE-821 results in radiosensitization of cells of promyelocytic leukaemia (HL-60). | 2013-11 |
|
| The novel ATR inhibitor VE-821 increases sensitivity of pancreatic cancer cells to radiation and chemotherapy. | 2012-09 |
|
| Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as potential anticancer agents. | 2011-04-14 |
|
| Selective killing of ATM- or p53-deficient cancer cells through inhibition of ATR. | 2011-04-13 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:33:11 GMT 2025
by
admin
on
Wed Apr 02 07:33:11 GMT 2025
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| Record UNII |
BF884TQ935
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| Record Status |
Validated (UNII)
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| Record Version |
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