Compound Detail
CHEMBL399237
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Basic Information
| ChEMBL ID | CHEMBL399237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEJNJBHRJYTVKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
6.59
ALogP
6
HBA
5
HBD
93.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Chk2 kinase | 17035018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035018 | 10.1016/j.bmcl.2006.09.067 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine