Compound Detail
CHEMBL5075551
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Basic Information
| ChEMBL ID | CHEMBL5075551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUPDHLLJHKURRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.47
ALogP
5
HBA
3
HBD
88.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.18 | 7.18 | 65.6 | 1 |
| KM12 CHEMBL614709 | IC50 | 6.49 | 6.49 | 323.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 65.6 | nM | 7.18 | Inhibition of GST-tagged AURA Ser123 to 401 residues) (unknown origin) expressed... | 34303872 |
| KM12 | IC50 | = | 323.7 | nM | 6.49 | Antiproliferative activity against human KM12 cells assessed as reduction in cel... | 34303872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34303872 | 10.1016/j.ejmech.2021.113673 | High affinity nerve growth factor receptor | 2 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | Aurora kinase A | 1 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | Aurora kinase B | 1 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | KM12 | 1 |
Data from ChEMBL 36 via Core Engine