Compound Detail
CHEMBL389780
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Basic Information
| ChEMBL ID | CHEMBL389780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBWGJLYQRAOHKO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 7.9 | nM | 8.1 | Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation | 17287122 |
| Serine/threonine-protein kinase Chk1 | Ki | = | 7.943 | nM | 8.1 | Inhibition of Chk1 | 19385614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17287122 | 10.1016/j.bmc.2007.01.012 | Serine/threonine-protein kinase Chk1 | 3 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine