Compound Detail
CHEMBL5499697
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Basic Information
| ChEMBL ID | CHEMBL5499697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPZYYCPZIIPVNT-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
4.06
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK9 (unknown origin) | 38852339 |
| Cyclin-dependent kinase 2 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of CDK2 (unknown origin) | 38852339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38852339 | 10.1016/j.ejmech.2024.116547 | Cyclin-dependent kinase 9 | 1 |
| 38852339 | 10.1016/j.ejmech.2024.116547 | Cyclin-dependent kinase 2 | 1 |
| 38852339 | 10.1016/j.ejmech.2024.116547 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine