Compound Detail
CHEMBL478028
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Basic Information
| ChEMBL ID | CHEMBL478028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTAIRXFACXVUQO-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.9
MW (Da)
5.56
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.92 | 6.92 | 121.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 121.0 | nM | 6.92 | Inhibition of Plk1 | 18793847 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 121.0 | nM | 6.92 | Inhibition of human Plk1 | 18790636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18793847 | 10.1016/j.bmcl.2008.08.095 | Serine/threonine-protein kinase PLK1 | 1 |
| 18793847 | 10.1016/j.bmcl.2008.08.095 | HCT-116 | 1 |
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine