Compound Detail
CHEMBL114917
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Basic Information
| ChEMBL ID | CHEMBL114917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRKZVQWEOWMPPZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.48
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.54 | 7.54 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 29.0 | nM | 7.54 | In vitro inhibitory concentration against cyclin-dependent kinase 2-cyclin A com... | 15189033 |
| Cyclin-dependent kinase 2 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of CDK2/Cyclin A | 18037537 |
| Cyclin-dependent kinase 2 | IC50 | = | 28.97 | nM | 7.54 | Inhibition of CDK2/Cyclin A | 18037537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18037537 | 10.1016/j.ejmech.2007.10.016 | Cyclin-dependent kinase 2 | 2 |
| 15189033 | 10.1021/jm031145u | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15189033 | 10.1021/jm031145u | A2780 | 1 |
Data from ChEMBL 36 via Core Engine