Compound Detail
CHEMBL249076
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 | CHEMBL249076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJMAISDAGIAZBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.99
ALogP
5
HBA
1
HBD
74.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of recombinant CHK1 | 17768051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17768051 | 10.1016/j.bmcl.2007.07.069 | Serine/threonine-protein kinase Chk1 | 1 |
| 17768051 | 10.1016/j.bmcl.2007.07.069 | HeLa | 1 |
| 17768051 | 10.1016/j.bmcl.2007.07.069 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine