Compound Detail
CHEMBL5173735
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Basic Information
| ChEMBL ID | CHEMBL5173735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQBMFAFMTZCQTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
5.22
ALogP
7
HBA
2
HBD
60.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 11A CHEMBL5416 | Kd | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 11A | Kd | = | 4800.0 | nM | 5.32 | Binding affinity to wild type human partial length CDK11A (D391 to K730 residues... | 35597007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 11A | 2 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK6/cyclin D1 | 1 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine