Compound Detail
CHEMBL1958408
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Basic Information
| ChEMBL ID | CHEMBL1958408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMSZSMVPKDDRMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.66
ALogP
3
HBA
3
HBD
73.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.55 | 9.55 | 0.3 | 1 |
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) CHEMBL2111377 | Ki | 9.3 | 9.3 | 0.5 | 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 | = | 0.28 | nM | 9.55 | Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after ... | 24900653 |
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | Ki | = | 0.5 | nM | 9.3 | Inhibition of human CDC7/DBF4 expressed using baculovirus expression system asse... | 22326396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22326396 | 10.1016/j.bmcl.2012.01.041 | CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | 1 |
| 24900653 | 10.1021/ml300348c | Cell division cycle 7-related protein kinase | 1 |
Data from ChEMBL 36 via Core Engine