Compound Detail
CHEMBL5598343
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COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(Br)cc6)c(=O)c45)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL5598343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARHZYNVDTKIXEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
613.4
MW (Da)
7.39
ALogP
8
HBA
1
HBD
87.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.86 | 7.86 | 13.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 13.8 | nM | 7.86 | 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