Compound Detail
CHEMBL212552
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Basic Information
| ChEMBL ID | CHEMBL212552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJKMKRYBCWBZML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.10
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| HeLa CHEMBL399 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK1/cyclinB by Flashplate assay | 16870444 |
| HeLa | IC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against human HeLa cell line assessed as incorporatio... | 16870444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870444 | 10.1016/j.bmcl.2006.06.073 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 16870444 | 10.1016/j.bmcl.2006.06.073 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine