Compound Detail
CHEMBL5596300
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Basic Information
| ChEMBL ID | CHEMBL5596300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOEVXPKFXLHBHC-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.7
MW (Da)
4.06
ALogP
2
HBA
2
HBD
76.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.7
Kd 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | Kd | 6.02 | 6.02 | 955.0 | 1 |
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | EC50 | 4.7 | 4.68 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A/Targeting protein for Xklp2 | Kd | = | 955.0 | nM | 6.02 | Inhibition of 6-His-tagged human Aurora A (126 to 390 residues) expressed in Esc... | 39190548 |
| Aurora kinase A/Targeting protein for Xklp2 | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of Aurora A-TPX2 protein-protein interaction in human HeLa cells asse... | 39190548 |
| Aurora kinase A/Targeting protein for Xklp2 | EC50 | = | 21800.0 | nM | 4.66 | Inhibition of Aurora A-TPX2 protein-protein interaction in human HeLa cells asse... | 39190548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39190548 | 10.1021/acs.jmedchem.4c01165 | Aurora kinase A/Targeting protein for Xklp2 | 3 |
| 39190548 | 10.1021/acs.jmedchem.4c01165 | Jurkat | 1 |
| 39190548 | 10.1021/acs.jmedchem.4c01165 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine