Compound Detail
CHEMBL3586468
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 | CHEMBL3586468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USEFICSVVKKZGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
5.73
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL2211 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells us... | 26101564 |
| Aurora kinase A | IC50 | = | 170.0 | nM | 6.77 | Inhibition of aurora kinase A autophosphorylation at T288 in human HCT116 cells ... | 26101564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101564 | 10.1021/ml500409n | Aurora kinase A | 2 |
| 26101564 | 10.1021/ml500409n | HCT-116 | 1 |
| 26101564 | 10.1021/ml500409n | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine