Compound Detail
CHEMBL4277690
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Basic Information
| ChEMBL ID | CHEMBL4277690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQNMCONHYXAHKS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.0
MW (Da)
4.43
ALogP
7
HBA
4
HBD
91.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase C CHEMBL3935 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase C | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Aurora C kinase (unknown origin) | 28918096 |
| Aurora kinase A | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Aurora A kinase (unknown origin) | 28918096 |
| Aurora kinase B | IC50 | = | 31.0 | nM | 7.51 | Inhibition of recombinant aurora B (unknown origin) | 28918096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28918096 | 10.1016/j.ejmech.2017.08.045 | Aurora kinase A | 1 |
| 28918096 | 10.1016/j.ejmech.2017.08.045 | Aurora kinase B | 1 |
| 28918096 | 10.1016/j.ejmech.2017.08.045 | Aurora kinase C | 1 |
| 28918096 | 10.1016/j.ejmech.2017.08.045 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine