Compound Detail
CHEMBL212491
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Basic Information
| ChEMBL ID | CHEMBL212491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDAVVOMFBOEFCG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.07
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HeLa CHEMBL399 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK1/cyclinB by Flashplate assay | 16870444 |
| HeLa | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human HeLa cell line assessed as incorporatio... | 16870444 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of RET kinase | 21724393 |
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 |
| 21724393 | 10.1016/j.bmcl.2011.06.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine