Compound Detail
CHEMBL219711
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Basic Information
| ChEMBL ID | CHEMBL219711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZPCKANQRXHUSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.96
ALogP
9
HBA
0
HBD
103.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 630.96 | nM | 6.2 | Inhibition of PLK1 | 16997559 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of human recombinant IKKepsilon by TR-FRET assay | 16997559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine