Compound Detail
CHEMBL1947251
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Basic Information
| ChEMBL ID | CHEMBL1947251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUTGBHKZCBYQAK-KAMYIIQDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
0.98
ALogP
5
HBA
4
HBD
121.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.06 | 6.06 | 867.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay | 22285028 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 867.0 | nM | 6.06 | Inhibition of human CHK1 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