Compound Detail
CHEMBL2170586
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Basic Information
| ChEMBL ID | CHEMBL2170586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSUKUXYTJJCQKG-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
5.33
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.83
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.83 | 6.83 | 149.0 | 4 |
| Aurora kinase A CHEMBL4722 | Kd | 6.52 | 6.52 | 299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 149.0 | nM | 6.83 | Inhibition of Aurora A kinase expressed in Escherichia coli using LRRASLG as sub... | 22803810 |
| Aurora kinase A | IC50 | = | 149.0 | nM | 6.83 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
| Aurora kinase A | IC50 | = | 149.0 | nM | 6.83 | Protein Crystallography Inhibitory Activity Assay: Aurora A was exchanged into 5... | - |
| Aurora kinase A | IC50 | = | 149.0 | nM | 6.83 | Isothermal titration calorimetry (ITC): The binding of inhibitors to Aurora A ki... | - |
| Aurora kinase A | Kd | = | 299.0 | nM | 6.52 | Isothermal titration calorimetry (ITC): The binding of inhibitors to Aurora A ki... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22803810 | 10.1021/jm300334d | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine