Compound Detail
CHEMBL1223456
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Basic Information
| ChEMBL ID | CHEMBL1223456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFXPFOWBHCRZEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.64
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells | 20673630 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Chk1 | 22342147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20673630 | 10.1016/j.bmcl.2010.07.015 | Serine/threonine-protein kinase Chk1 | 1 |
| 20673630 | 10.1016/j.bmcl.2010.07.015 | HT-29 | 1 |
| 22342147 | 10.1016/j.bmcl.2012.01.043 | HT-29 | 1 |
| 22342147 | 10.1016/j.bmcl.2012.01.043 | Serine/threonine-protein kinase Chk1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine