Compound Detail
CHEMBL4282530
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Basic Information
| ChEMBL ID | CHEMBL4282530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQTIZDYSQKQTBQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.34
ALogP
6
HBA
3
HBD
96.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 7.39 | 7.39 | 41.0 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant aurora B (unknown origin) | 28918096 |
| Aurora kinase B | IC50 | = | 41.0 | nM | 7.39 | Inhibition of Aurora B in human MCF7 cells | 30878832 |
| Aurora kinase A | IC50 | = | 60.0 | nM | 7.22 | Inhibition of recombinant aurora 2 (unknown origin) expressed in Sf21 insect cel... | 28918096 |
| Aurora kinase A | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Aurora A in human MCF7 cells | 30878832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30878832 | 10.1016/j.ejmech.2019.03.004 | Aurora kinase A | 2 |
| 28918096 | 10.1016/j.ejmech.2017.08.045 | Aurora kinase A | 1 |
| 28918096 | 10.1016/j.ejmech.2017.08.045 | Aurora kinase B | 1 |
| 30878832 | 10.1016/j.ejmech.2019.03.004 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine