Compound Detail
CHEMBL363339
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Basic Information
| ChEMBL ID | CHEMBL363339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPXSHSZSDFFTNY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.49
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 7.39 | 7.365 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant human Chk2 kinase | 15771432 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of recombinant human CDS1 using N-terminal biotin-labeled SGLYRSPSMPE... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771432 | 10.1021/jm0495935 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine