Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H21FN4O2 |
| Molecular Weight | 380.4154 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCCNCC4
InChI
InChIKey=HGEPGGJUGUMFHT-UHFFFAOYSA-N
InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19407318 | https://www.ncbi.nlm.nih.gov/pubmed/16251802 | https://www.ncbi.nlm.nih.gov/pubmed/22753594 | https://www.ncbi.nlm.nih.gov/pubmed/20944090
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19407318 | https://www.ncbi.nlm.nih.gov/pubmed/16251802 | https://www.ncbi.nlm.nih.gov/pubmed/22753594 | https://www.ncbi.nlm.nih.gov/pubmed/20944090
KU0058948 is an inhibitor of Poly(ADP-ribose) polymerase (PARP). In addition KU0058948 was shown to activate extracellular signal-regulated kinase 8 (ERK8). It affects viability of leukemia, pancreatic and endometrial cancer cells.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3105 |
3.4 nM [IC50] | ||
Target ID: CHEMBL5366 |
1.5 nM [IC50] | ||
| 40.0 nM [IC50] | |||
Target ID: CHEMBL5198 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Targeting the DNA repair defect in BRCA mutant cells as a therapeutic strategy. | 2005 Apr 14 |
|
| BRCA2-deficient CAPAN-1 cells are extremely sensitive to the inhibition of Poly (ADP-Ribose) polymerase: an issue of potency. | 2005 Sep |
|
| A high-throughput RNA interference screen for DNA repair determinants of PARP inhibitor sensitivity. | 2008 Dec 1 |
|
| Regulation of the activity and expression of ERK8 by DNA damage. | 2009 Feb 18 |
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Code | English |
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763111-49-5
Created by
admin on Sat Dec 16 16:08:42 GMT 2023 , Edited by admin on Sat Dec 16 16:08:42 GMT 2023
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11291932
Created by
admin on Sat Dec 16 16:08:42 GMT 2023 , Edited by admin on Sat Dec 16 16:08:42 GMT 2023
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NP74Y62UYL
Created by
admin on Sat Dec 16 16:08:42 GMT 2023 , Edited by admin on Sat Dec 16 16:08:42 GMT 2023
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PRIMARY |
![Structure of 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one](/img/4d8a7ce3-32a1-40a9-8d76-018dced077fb.svg "Structure of 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one")