Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G0BJ
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| Former ID |
DIB008231
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| Drug Name |
VE-821
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| Synonyms |
ATR serine/threonine protein kinase inhibitors (cancer), Oxford University; ATR serine/threonine protein kinase inhibitors (cancer), Vertex Pharmaceuticals
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Investigative | [1] | |
| Company |
University of Oxford
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| Structure |
 |
Download2D MOL |
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| Formula |
C18H16N4O3S
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| Canonical SMILES |
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N
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| 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)
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| InChIKey |
DUIHHZKTCSNTGM-UHFFFAOYSA-N
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| CAS Number |
CAS 1232410-49-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:124916
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Serine/threonine-protein kinase ATR (FRP1) | Target Info | Inhibitor | [2], [3] |
| KEGG Pathway | Fanconi anemia pathway | |||
| Cell cycle | ||||
| p53 signaling pathway | ||||
| HTLV-I infection | ||||
| Panther Pathway | p53 pathway | |||
| p53 pathway feedback loops 2 | ||||
| Pathway Interaction Database | Fanconi anemia pathway | |||
| ATR signaling pathway | ||||
| Signaling events mediated by TCPTP | ||||
| Circadian rhythm pathway | ||||
| BARD1 signaling events | ||||
| p53 pathway | ||||
| Reactome | Meiotic synapsis | |||
| Activation of ATR in response to replication stress | ||||
| Regulation of HSF1-mediated heat shock response | ||||
| HDR through Single Strand Annealing (SSA) | ||||
| Processing of DNA double-strand break ends | ||||
| Presynaptic phase of homologous DNA pairing and strand exchange | ||||
| G2/M DNA damage checkpoint | ||||
| WikiPathways | DNA Damage Response | |||
| Meiotic Synapsis | ||||
| Prostate Cancer | ||||
| Integrated Breast Cancer Pathway | ||||
| Integrated Cancer pathway | ||||
| Cell Cycle | ||||
| Cell Cycle Checkpoints | ||||
| miRNA Regulation of DNA Damage Response | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8042). | |||
| REF 2 | ATR inhibitors VE-821 and VX-970 sensitize cancer cells to topoisomerase i inhibitors by disabling DNA replication initiation and fork elongation responses. Cancer Res. 2014 Dec 1;74(23):6968-79. | |||
| REF 3 | Potentiation of tumor responses to DNA damaging therapy by the selective ATR inhibitor VX-970. Oncotarget. 2014 Jul 30;5(14):5674-85. | |||
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