Compound Detail
CHEMBL2203628
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Basic Information
| ChEMBL ID | CHEMBL2203628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVGISXUMPLSTOM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.1
MW (Da)
2.92
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of CDK2 | 21381769 |
| Cyclin-dependent kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of CDK1 | 21381769 |
| MCF7 | IC50 | = | 4000.0 | nM | 5.4 | Antiproliferative activity against human MCF7 cells | 21381769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381769 | 10.1021/jm1012374 | MCF7 | 1 |
| 21381769 | 10.1021/jm1012374 | Cyclin-dependent kinase 2 | 1 |
| 21381769 | 10.1021/jm1012374 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine