Compound Detail
CHEMBL391394
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Basic Information
| ChEMBL ID | CHEMBL391394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJDDMMLMBHSAGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.00
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 5.16 | 5.16 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of aurora A kinase | 17933533 |
| Aurora kinase A | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Aurora A | 21093113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17933533 | 10.1016/j.bmcl.2007.09.076 | Aurora kinase A | 1 |
| 21093113 | 10.1016/j.ejmech.2010.10.017 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine