Compound Detail
CHEMBL480545
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Basic Information
| ChEMBL ID | CHEMBL480545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTWJDVNPCLUQPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.9
MW (Da)
4.50
ALogP
8
HBA
1
HBD
88.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PLK1 expressed in baculovirus-infected Trichoplusia-ni cells by sc... | 19097784 |
| HCT-116 | IC50 | = | 1480.0 | nM | 5.83 | Antiproliferative activity against human HCT116 cells after 3 days by methylene ... | 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 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine