Compound Detail
CHEMBL459888
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Basic Information
| ChEMBL ID | CHEMBL459888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSCKUUOMMSYITN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
5.62
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 5.5 | 5.5 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Aurora A by radiometric assay | 18678489 |
| Aurora kinase A | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of aurora A kinase | 19320489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678489 | 10.1016/j.bmcl.2008.07.073 | Aurora kinase A | 1 |
| 19320489 | 10.1021/jm8012129 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine