Compound Detail
CHEMBL2062936
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Basic Information
| ChEMBL ID | CHEMBL2062936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMCKNCUEAQHCV-XYPYZODXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.39
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | Ki | = | 0.1585 | nM | 9.8 | Inhibition of CDC7 | 24900482 |
| Cyclin-dependent kinase 1 | Ki | = | 39.81 | nM | 7.4 | Inhibition of CDC2 | 24900482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900482 | 10.1021/ml300012r | Cell division cycle 7-related protein kinase | 1 |
| 24900482 | 10.1021/ml300012r | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine