Compound Detail
CHEMBL428409
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 | CHEMBL428409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KENNHLCFUAOXCB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.57
ALogP
3
HBA
3
HBD
87.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| NCI-H1299 CHEMBL612255 | EC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence ... | 17900896 |
| NCI-H1299 | EC50 | = | 79.0 | nM | 7.1 | Inhibition of camptothecin induced mitotic arrest in human NCI-H1299 cells after... | 17900896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17900896 | 10.1016/j.bmcl.2007.09.007 | HT-29 | 2 |
| 17900896 | 10.1016/j.bmcl.2007.09.007 | Serine/threonine-protein kinase Chk1 | 1 |
| 17900896 | 10.1016/j.bmcl.2007.09.007 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine