Compound Detail
CHEMBL557279
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Basic Information
| ChEMBL ID | CHEMBL557279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUOHNZIRNKHHJE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.03
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | Ki | = | 2.4 | nM | 8.62 | Inhibition of Aurora-A by coupled assay | 19447622 |
| Aurora kinase B | Ki | = | 83.0 | nM | 7.08 | Inhibition of Aurora-B | 19447622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447622 | 10.1016/j.bmcl.2009.04.136 | Aurora kinase A | 1 |
| 19447622 | 10.1016/j.bmcl.2009.04.136 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine