Compound Detail
CHEMBL471169
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Basic Information
| ChEMBL ID | CHEMBL471169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRKWENWOSOLBBN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
5.00
ALogP
7
HBA
2
HBD
79.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 580.0 | nM | 6.24 | Inhibition of Aurora B by radiometric assay | 18678489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678489 | 10.1016/j.bmcl.2008.07.073 | HCT-116 | 2 |
| 18678489 | 10.1016/j.bmcl.2008.07.073 | Aurora kinase A | 1 |
| 18678489 | 10.1016/j.bmcl.2008.07.073 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine