Compound Detail
CHEMBL564290
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL564290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPIMYXVAEGCNPJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.57
ALogP
7
HBA
2
HBD
85.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.93 | 5.93 | 1168.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.66 | 5.66 | 2180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | Ki | = | 17.0 | nM | 7.77 | Inhibition of Aurora-A by coupled assay | 19447622 |
| Aurora kinase B | Ki | = | 120.0 | nM | 6.92 | Inhibition of Aurora-B | 19447622 |
| Glycogen synthase kinase-3 beta | Ki | = | 1168.0 | nM | 5.93 | Inhibition of GSK3-beta | 19447622 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 2180.0 | nM | 5.66 | Inhibition of Src | 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 |
Data from ChEMBL 36 via Core Engine