Compound Detail
CHEMBL5571331
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N#Cc1c(-c2cc(Br)c(O)c(Br)c2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O
Basic Information
| ChEMBL ID | CHEMBL5571331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBXGLXVDXHVTCF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
580.2
MW (Da)
6.87
ALogP
5
HBA
4
HBD
118.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.61 | 5.61 | 2480.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.45 | 5.45 | 3570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residue... | 39026631 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human recombinant VEGFR2 (805 to 1356 residues) in presence of ATP... | 39026631 |
| PC-3 | IC50 | = | 2480.0 | nM | 5.61 | Cytotoxicity against human PC-3 cells assessed as reduction in cell viability by... | 39026631 |
| MCF7 | IC50 | = | 3570.0 | nM | 5.45 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability by... | 39026631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39026631 | 10.1039/d4md00280f | MCF7 | 2 |
| 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