Compound Detail
CHEMBL5523430
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CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C
Basic Information
| ChEMBL ID | CHEMBL5523430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIEKEILDJWQXRB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
6.16
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Epithelial discoidin domain-containing receptor 1 CHEMBL5319 | IC50 | 7.65 | 7.65 | 22.2 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.94 | 6.94 | 114.1 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.72 | 6.72 | 192.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 4.0 | nM | 8.4 | Inhibition of AXL (unknown origin) | 38714043 |
| Epithelial discoidin domain-containing receptor 1 | IC50 | = | 22.2 | nM | 7.65 | Inhibition of DDR1 (unknown origin) | 38714043 |
| Aurora kinase B | IC50 | = | 114.1 | nM | 6.94 | Inhibition of AURORA-B (unknown origin) | 38714043 |
| Aurora kinase A | IC50 | = | 192.4 | nM | 6.72 | Inhibition of AURORA-A (unknown origin) | 38714043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38714043 | 10.1016/j.ejmech.2024.116475 | Tyrosine-protein kinase receptor UFO | 1 |
| 38714043 | 10.1016/j.ejmech.2024.116475 | Epithelial discoidin domain-containing receptor 1 | 1 |
| 38714043 | 10.1016/j.ejmech.2024.116475 | Aurora kinase A | 1 |
| 38714043 | 10.1016/j.ejmech.2024.116475 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine