Compound Detail
CHEMBL5597117
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Nc1nccc(Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCC1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL5597117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCXJRHKWYSGJQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
4.27
ALogP
8
HBA
3
HBD
124.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | 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 | HCC827 | 1 |
Data from ChEMBL 36 via Core Engine