Compound Detail
CHEMBL3344193
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Basic Information
| ChEMBL ID | CHEMBL3344193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQKKJLNOWMZBOW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
4.61
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HeLa CHEMBL399 | EC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Plk1 immunoprecipitated from human HeLa cells using casein substra... | 25304894 |
| HeLa | EC50 | = | 890.0 | nM | 6.05 | Antiproliferative activity against human HeLa cells assessed as growth inhibitio... | 25304894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25304894 | 10.1016/j.bmcl.2014.09.015 | HeLa | 4 |
| 25304894 | 10.1016/j.bmcl.2014.09.015 | Serine/threonine-protein kinase PLK1 | 1 |
| 25304894 | 10.1016/j.bmcl.2014.09.015 | Serine/threonine-protein kinase PLK2 | 1 |
| 25304894 | 10.1016/j.bmcl.2014.09.015 | Serine/threonine-protein kinase PLK3 | 1 |
Data from ChEMBL 36 via Core Engine