Compound Detail
CHEMBL195041
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Basic Information
| ChEMBL ID | CHEMBL195041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYVQDEPKWVWSGO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.19
ALogP
4
HBA
3
HBD
92.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 8.7 | 8.0867 | 2.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human recombinant Chk2 | 17937984 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant human CDS1 using N-terminal biotin-labeled SGLYRSPSMPE... | - |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of recombinant human Chk2 kinase | 15771432 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis | 28433679 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 32.4 | nM | 7.49 | Inhibition of Chk2 (unknown origin) by spectrophotometric analysis | 29316526 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 32.4 | nM | 7.49 | Inhibition of Chk2 (unknown origin) assessed as decrease in Cdc25C phosphorylati... | 29407991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28433679 | 10.1016/j.ejmech.2017.03.090 | Serine/threonine-protein kinase Chk2 | 6 |
| 29316526 | 10.1016/j.ejmech.2017.12.023 | Serine/threonine-protein kinase Chk2 | 6 |
| 29407991 | 10.1016/j.ejmech.2018.01.072 | Serine/threonine-protein kinase Chk2 | 6 |
| 15771432 | 10.1021/jm0495935 | Serine/threonine-protein kinase Chk2 | 1 |
| 17937984 | 10.1016/j.bmcl.2007.09.098 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine