Compound Detail
CHEMBL379095
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Basic Information
| ChEMBL ID | CHEMBL379095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBCFNGPWAWWJOK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
3.23
ALogP
7
HBA
3
HBD
141.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.91
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Chk1 | 16446090 |
| HeLa | EC50 | = | 12200.0 | nM | 4.91 | 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 |
Data from ChEMBL 36 via Core Engine