Compound Detail
CHEMBL207778
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Basic Information
| ChEMBL ID | CHEMBL207778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMRAKNQIWRVVMJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.60
ALogP
6
HBA
2
HBD
103.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.18
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.18 | 4.985 | 6550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of Chk1 | 16446090 |
| HeLa | EC50 | = | 6550.0 | nM | 5.18 | Antiproliferative activity against HeLa cells in presence of 100 nM doxorubicin ... | 16446090 |
| HeLa | EC50 | = | 16400.0 | nM | 4.79 | Antiproliferative activity against HeLa cells by MTS assay | 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 |
Data from ChEMBL 36 via Core Engine