Compound Detail
CHEMBL176041
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 | CHEMBL176041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBHFOWFHBHUVEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.33
ALogP
2
HBA
2
HBD
71.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant human Chk2 kinase | 15771432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771432 | 10.1021/jm0495935 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine