Compound Detail
CHEMBL1947255
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Basic Information
| ChEMBL ID | CHEMBL1947255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSAVPOVYNKFTII-MNDPQUGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.93
ALogP
4
HBA
4
HBD
98.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 5.82 | 5.82 | 1526.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 1526.0 | nM | 5.82 | Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay | 22285028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22285028 | 10.1016/j.bmc.2011.12.054 | Serine/threonine-protein kinase Chk1 | 1 |
| 22285028 | 10.1016/j.bmc.2011.12.054 | Serine/threonine-protein kinase Chk2 | 1 |
| 22285028 | 10.1016/j.bmc.2011.12.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine