Compound Detail
CHEMBL208332
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Basic Information
| ChEMBL ID | CHEMBL208332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLYHRDQPHHVLOD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.8
MW (Da)
3.30
ALogP
7
HBA
3
HBD
141.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.36
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| HeLa CHEMBL399 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
| NCI-H1299 CHEMBL612255 | EC50 | 5.77 | 5.77 | 1710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Chk1 | 16446090 |
| HeLa | EC50 | = | 440.0 | nM | 6.36 | Antiproliferative activity against HeLa cells in presence of 100 nM doxorubicin ... | 16446090 |
| NCI-H1299 | EC50 | = | 1710.0 | nM | 5.77 | Inhibition of cell cycle arrest in H1299 cells at G2 phase in presence of 500 nM... | 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 | NCI-H1299 | 3 |
| 16446090 | 10.1016/j.bmcl.2006.01.028 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine