Compound Detail
CHEMBL5569411
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CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(Br)cc6)c(=O)c45)cc3F)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL5569411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPOOZLXEYDPHFI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
641.5
MW (Da)
7.73
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.59 | 7.59 | 25.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.12 | 7.12 | 76.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.53 | 6.53 | 296.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 25.6 | nM | 7.59 | Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay | 38169272 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 76.1 | nM | 7.12 | Inhibition of recombinant VEGFR-2 (unknown origin) | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 296.1 | nM | 6.53 | Inhibition of recombinant MET (unknown origin) | 38169272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38169272 | 10.1016/j.ejmech.2023.116090 | Tyrosine-protein kinase receptor UFO | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Hepatocyte growth factor receptor | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine