Compound Detail
CHEMBL456163
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Basic Information
| ChEMBL ID | CHEMBL456163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWQKPKYIMQTGJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.2
MW (Da)
1.76
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 850.0 | nM | 6.07 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 850.0 | nM | 6.07 | Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay | 26115571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine