Compound Detail
CHEMBL514040
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Basic Information
| ChEMBL ID | CHEMBL514040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEGCURQNODRWMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.65
ALogP
8
HBA
1
HBD
112.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 99.0 | nM | 7.0 | Inhibition of PLK1 expressed in baculovirus-infected Trichoplusia-ni cells by sc... | 19097784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097784 | 10.1016/j.bmcl.2008.11.041 | Serine/threonine-protein kinase PLK1 | 1 |
| 19097784 | 10.1016/j.bmcl.2008.11.041 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine