Compound Detail
CHEMBL248988
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 | CHEMBL248988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQDWQSZUGGKPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.7
MW (Da)
3.33
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence ... | 17900896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17900896 | 10.1016/j.bmcl.2007.09.007 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine