Compound Detail
CHEMBL5598344
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COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(C)cc6)c(=O)c45)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL5598344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZRVIBIFSSVDAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
6.93
ALogP
8
HBA
1
HBD
87.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.76 | 7.76 | 17.2 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 17.2 | nM | 7.76 | Inhibition of AXL (unknown origin) | 38733884 |
| Hepatocyte growth factor receptor | IC50 | = | 147.0 | nM | 6.83 | Inhibition of c-MET (unknown origin) | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | Hepatocyte growth factor receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine