Compound Detail
CHEMBL4861838
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Basic Information
| ChEMBL ID | CHEMBL4861838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJKIGCOQVAUXEZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
5.05
ALogP
7
HBA
3
HBD
101.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant GST-AURKA (residues Ser123 to Ser401) (unknown origin)... | 34606263 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 112.0 | nM | 6.95 | Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in S... | 34606263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase A | 2 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine