Compound Detail
CHEMBL4776274
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COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL4776274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKCWHHYUMFGOPY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
5.47
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.92 | 7.59 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 7.0 | nM | 8.15 | Inhibition of AXL (unknown origin) | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of c-MET (unknown origin) | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 55.0 | nM | 7.26 | Kinase Assay: The cMET kinase assay was performed in 384-well Fluotrac 200 HiBas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Hepatocyte growth factor receptor | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine