Compound Detail
CHEMBL5549914
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Basic Information
| ChEMBL ID | CHEMBL5549914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMNQDFZYJWXMMB-MOSHPQCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
4.46
ALogP
2
HBA
4
HBD
86.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 10.5 | nM | 7.98 | Inhibition of Aurora B (unknown origin) | 38401190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38401190 | 10.1016/j.ejmech.2024.116255 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine