Compound Detail
CHEMBL5266005
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Basic Information
| ChEMBL ID | CHEMBL5266005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIMQWRZWLQKKBJ-GOSISDBHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.28
ALogP
7
HBA
2
HBD
92.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK2 (unknown origin) | 36332552 |
| Cyclin-dependent kinase 5 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK5 (unknown origin) | 36332552 |
| Cyclin-dependent kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDK1 (unknown origin) | 36332552 |
| Cyclin-dependent kinase 9 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK9 (unknown origin) | 36332552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332552 | 10.1016/j.ejmech.2022.114875 | Cyclin-dependent kinase 1 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | Cyclin-dependent kinase 2 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | Cyclin-dependent kinase 9 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | Cyclin-dependent kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine