Compound Detail
CHEMBL4457287
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Basic Information
| ChEMBL ID | CHEMBL4457287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTJTWBJJUCIKRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.29
ALogP
8
HBA
2
HBD
105.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 8.34 | nM | 8.08 | Inhibition of recombinant human N-terminal GST-tagged CHK1 (M1 to T476 residues)... | 30986571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine