Compound Detail
CHEMBL112442
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 | CHEMBL112442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPQLRNNPRYBTLP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
2.03
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.65 | 6.65 | 223.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 224.0 | nM | 6.65 | In vitro inhibitory concentration against cyclin-dependent kinase 2-cyclin A com... | 15189033 |
| Cyclin-dependent kinase 2 | IC50 | = | 224.0 | nM | 6.65 | Inhibition of CDK2/Cyclin A | 18037537 |
| Cyclin-dependent kinase 2 | IC50 | = | 223.87 | nM | 6.65 | 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 |
Data from ChEMBL 36 via Core Engine