Compound Detail
CHEMBL4474459
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Basic Information
| ChEMBL ID | CHEMBL4474459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTFSQZHIWGSTMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
1.64
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 13.0 | nM | 7.89 | Inhibition of GST-tagged AURORA B (unknown origin) expressed in baculovirus infe... | 30234987 |
| Aurora kinase A | IC50 | = | 18.0 | nM | 7.75 | Inhibition of GST-tagged AURORA A (unknown origin) expressed in baculovirus infe... | 30234987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Aurora kinase A | 1 |
| 30234987 | 10.1021/acs.jmedchem.8b00049 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine