Compound Detail
CHEMBL245605
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Basic Information
| ChEMBL ID | CHEMBL245605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDAAHSGATZAMOW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
101.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Ki 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Chk1 | 17827013 |
| Serine/threonine-protein kinase Chk1 | Ki | = | 12.59 | nM | 7.9 | Inhibition of Chk1 | 19385614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827013 | 10.1016/j.bmcl.2007.07.102 | Serine/threonine-protein kinase Chk1 | 1 |
| 17827013 | 10.1016/j.bmcl.2007.07.102 | HeLa | 1 |
| 17827013 | 10.1016/j.bmcl.2007.07.102 | Molecular identity unknown | 1 |
| 17827013 | 10.1016/j.bmcl.2007.07.102 | NCI-H1299 | 1 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine