Compound Detail
CHEMBL402349
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Basic Information
| ChEMBL ID | CHEMBL402349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJFSTAPQOMYERB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
2.45
ALogP
6
HBA
1
HBD
92.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of Aurora A kinase | 18243698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18243698 | 10.1016/j.bmcl.2008.01.068 | Aurora kinase A | 3 |
Data from ChEMBL 36 via Core Engine