Compound Detail
CHEMBL243985
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Basic Information
| ChEMBL ID | CHEMBL243985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUYOXALQAMSHJK-MXMYYPTISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase C CHEMBL3935 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase C | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant aurora C kinase | 17665890 |
| Aurora kinase B | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant aurora B kinase | 17665890 |
| Aurora kinase A | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant aurora A kinase | 17665890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665890 | 10.1021/jm070077z | Aurora kinase A | 1 |
| 17665890 | 10.1021/jm070077z | Aurora kinase B | 1 |
| 17665890 | 10.1021/jm070077z | Aurora kinase C | 1 |
Data from ChEMBL 36 via Core Engine