Compound Detail
CHEMBL5594061
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Basic Information
| ChEMBL ID | CHEMBL5594061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUNJDJYWLQEZOG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
6.12
ALogP
4
HBA
4
HBD
113.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| WISH CHEMBL612811 | IC50 | 4.28 | 4.28 | 52600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residue... | 39026631 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human recombinant VEGFR2 (805 to 1356 residues) in presence of ATP... | 39026631 |
| MCF7 | IC50 | = | 760.0 | nM | 6.12 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability by... | 39026631 |
| PC-3 | IC50 | = | 1850.0 | nM | 5.73 | Cytotoxicity against human PC-3 cells assessed as reduction in cell viability by... | 39026631 |
| WISH | IC50 | = | 52600.0 | nM | 4.28 | Cytotoxicity against human WISH cells assessed as reduction in cell viability by... | 39026631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39026631 | 10.1039/d4md00280f | MCF7 | 15 |
| 39026631 | 10.1039/d4md00280f | Unchecked | 7 |
| 39026631 | 10.1039/d4md00280f | PC-3 | 2 |
| 39026631 | 10.1039/d4md00280f | Hepatocyte growth factor receptor | 1 |
| 39026631 | 10.1039/d4md00280f | Vascular endothelial growth factor receptor 2 | 1 |
| 39026631 | 10.1039/d4md00280f | WISH | 1 |
Data from ChEMBL 36 via Core Engine