Compound Detail
CHEMBL5414728
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[O-][S+](c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL5414728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEHQHFLLRYUONA-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
4.96
ALogP
5
HBA
2
HBD
81.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.2 | 7.2 | 63.0 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 6.14 | 6.14 | 725.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 5.83 | 5.83 | 1494.0 | 2 |
| EBC-1 CHEMBL4296411 | IC50 | 5.8 | 5.8 | 1590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 63.0 | nM | 7.2 | Inhibition of c-Met (unknown origin) using Tyr 6 peptide as substrate incubated ... | 37262349 |
| Hepatocyte growth factor receptor | IC50 | = | 63.0 | nM | 7.2 | Inhibition of c-Met (unknown origin) | 38762915 |
| ALK tyrosine kinase receptor | IC50 | = | 725.0 | nM | 6.14 | Inhibition of human ALKL1196M mutant by discoverX kinome scan assay | 38762915 |
| MKN-45 | IC50 | = | 1494.0 | nM | 5.83 | Antiproliferative activity against human MKN-45 cells assessed as inhibition of ... | 37262349 |
| MKN-45 | IC50 | = | 1494.0 | nM | 5.83 | Antiproliferative activity against human MKN-45 cells assessed as reduction in c... | 38762915 |
| EBC-1 | IC50 | = | 1590.0 | nM | 5.8 | Antiproliferative activity against human EBC-1 cells assessed as inhibition of c... | 37262349 |
| EBC-1 | IC50 | = | 1590.0 | nM | 5.8 | Antiproliferative activity against human EBC-1 cells assessed as reduction in ce... | 38762915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37262349 | 10.1021/acs.jmedchem.3c00028 | Hepatocyte growth factor receptor | 1 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | MKN-45 | 1 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | EBC-1 | 1 |
| 38762915 | 10.1016/j.ejmech.2024.116470 | Hepatocyte growth factor receptor | 1 |
| 38762915 | 10.1016/j.ejmech.2024.116470 | ALK tyrosine kinase receptor | 1 |
| 38762915 | 10.1016/j.ejmech.2024.116470 | MKN-45 | 1 |
| 38762915 | 10.1016/j.ejmech.2024.116470 | EBC-1 | 1 |
Data from ChEMBL 36 via Core Engine