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=C(C=C(CC2=NNC(=O)C3=C2C=CC=C3)C=C1)C(=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)
| Molecular Formula | C21H21FN4O2 |
| Molecular Weight | 380.4154 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
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 |
|||
| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Genetically defined subsets of human pancreatic cancer show unique in vitro chemosensitivity. | 2012-12-01 |
|
| PTEN deficiency in endometrioid endometrial adenocarcinomas predicts sensitivity to PARP inhibitors. | 2010-10-13 |
|
| Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. | 2009-05-14 |
|
| Inhibitors of poly ADP-ribose polymerase (PARP) induce apoptosis of myeloid leukemic cells: potential for therapy of myeloid leukemia and myelodysplastic syndromes. | 2009-05 |
|
| Regulation of the activity and expression of ERK8 by DNA damage. | 2009-02-18 |
|
| A high-throughput RNA interference screen for DNA repair determinants of PARP inhibitor sensitivity. | 2008-12-01 |
|
| BRCA2-deficient CAPAN-1 cells are extremely sensitive to the inhibition of Poly (ADP-Ribose) polymerase: an issue of potency. | 2005-09 |
|
| Targeting the DNA repair defect in BRCA mutant cells as a therapeutic strategy. | 2005-04-14 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:12:08 GMT 2025
by
admin
on
Wed Apr 02 07:12:08 GMT 2025
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| Record UNII |
NP74Y62UYL
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| Record Status |
Validated (UNII)
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| Record Version |
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NP74Y62UYL
Created by
admin on Wed Apr 02 07:12:08 GMT 2025 , Edited by admin on Wed Apr 02 07:12:08 GMT 2025
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