Compound Detail
CHEMBL1958416
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Basic Information
| ChEMBL ID | CHEMBL1958416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRYZKNITVQQTFF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
1.90
ALogP
5
HBA
3
HBD
95.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
Ki 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) CHEMBL2111377 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) CHEMBL2111377 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| HCT-116 CHEMBL394 | EC50 | 5.61 | 5.61 | 2460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | Ki | = | 0.14 | nM | 9.85 | Inhibition of human CDC7/DBF4 expressed using baculovirus expression system asse... | 22326396 |
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | EC50 | = | 300.0 | nM | 6.52 | Inhibition of CDC7/DBF4-mediated MCM2 phosphorylation in human HCT116 cells afte... | 22326396 |
| HCT-116 | EC50 | = | 2460.0 | nM | 5.61 | Cytotoxicity against human HCT116 cells after 3 days by CellTitre Glo assay | 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) | 2 |
| 22326396 | 10.1016/j.bmcl.2012.01.041 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine