Compound Detail
CHEMBL207596
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 | CHEMBL207596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHDDCOYIWRLEJG-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.7
MW (Da)
2.24
ALogP
6
HBA
3
HBD
126.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.82
IC50 1 meas. best 8.3
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | Ki | = | 3.981 | nM | 8.4 | Inhibition of Chk1 | 19385614 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Chk1 | 16446090 |
| HeLa | EC50 | = | 15000.0 | nM | 4.82 | Antiproliferative activity against HeLa cells in presence of 100 nM doxorubicin ... | 16446090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16446090 | 10.1016/j.bmcl.2006.01.028 | HeLa | 3 |
| 16446090 | 10.1016/j.bmcl.2006.01.028 | Serine/threonine-protein kinase Chk1 | 1 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine