Compound Detail
CHEMBL5176826
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5176826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDZRXVMQLQSKPO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.8
MW (Da)
3.85
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.46
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | Ki | 7.87 | 7.87 | 13.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 0.21 | nM | 9.68 | Antiproliferative activity against human MCF7 cells incubated for 3 days by MTT ... | 32707525 |
| Cyclin-dependent kinase 1 | Ki | = | 0.35 | nM | 9.46 | Inhibition of CDK1 (unknown origin) assessed as inhibition constant | 32707525 |
| CDK6/cyclin D3 | Ki | = | 13.4 | nM | 7.87 | Binding affinity to CDK6/Cyclin D3 (unknown origin) assessed as inhibition const... | 33158576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33158576 | 10.1016/j.ejmech.2020.112954 | CDK6/cyclin D3 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | Cyclin-dependent kinase 1 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine