Compound Detail
CHEMBL400323
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Basic Information
| ChEMBL ID | CHEMBL400323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMVBSUNCHGFMNE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.96
ALogP
3
HBA
3
HBD
87.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.82
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| NCI-H1299 CHEMBL612255 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence ... | 17900896 |
| NCI-H1299 | EC50 | = | 150.0 | nM | 6.82 | 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 | Serine/threonine-protein kinase Chk1 | 1 |
| 17900896 | 10.1016/j.bmcl.2007.09.007 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine