Compound Detail
CHEMBL556460
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Basic Information
| ChEMBL ID | CHEMBL556460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAKWGLDYQAWDPS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.90
ALogP
7
HBA
3
HBD
104.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | Ki | = | 9.0 | nM | 8.05 | Inhibition of Aurora-A by coupled assay | 19447622 |
| Aurora kinase B | Ki | = | 250.0 | nM | 6.6 | Inhibition of Aurora-B | 19447622 |
| COLO 205 | IC50 | = | 2870.0 | nM | 5.54 | Antiproliferative activity against human COLO205 cells by [3H]thymidine uptake a... | 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 |
| 19447622 | 10.1016/j.bmcl.2009.04.136 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19447622 | 10.1016/j.bmcl.2009.04.136 | Glycogen synthase kinase-3 beta | 1 |
| 19447622 | 10.1016/j.bmcl.2009.04.136 | COLO 205 | 1 |
Data from ChEMBL 36 via Core Engine