Compound Detail
CHEMBL4781305
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COc1cc2nccc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL4781305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLRINRCTDNIRFQ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
6.97
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.12 | 7.0267 | 76.6 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.03 | 6.885 | 92.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 4.1 | nM | 8.39 | Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 76.6 | nM | 7.12 | Inhibition of MET (unknown origin) using biotin as substrate preincubated for 5 ... | 32113049 |
| Hepatocyte growth factor receptor | IC50 | = | 76.6 | nM | 7.12 | Inhibition of recombinant MET (unknown origin) | 38169272 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 92.6 | nM | 7.03 | Inhibition of recombinant VEGFR-2 (unknown origin) | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 143.0 | nM | 6.84 | Inhibition Assay: A study on inhibition of protein kinases activity at in vitro ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 182.0 | nM | 6.74 | Inhibition Assay: A study on inhibition of protein kinases activity at in vitro ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32113049 | 10.1016/j.ejmech.2020.112174 | Hepatocyte growth factor receptor | 1 |
| 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