Compound Detail
CHEMBL4159122
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Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)N(C)C2=O)C3=O)CC1
Basic Information
| ChEMBL ID | CHEMBL4159122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJENVUIMZATFSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1148.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Kd | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | Kd | = | 54.0 | nM | 7.27 | Binding affinity to wild-type human partial length ALK (I1088 to E1409 residues)... | 29627725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29627725 | 10.1016/j.ejmech.2018.03.071 | ALK tyrosine kinase receptor | 3 |
| 29627725 | 10.1016/j.ejmech.2018.03.071 | Protein cereblon/NPM/ALK | 1 |
| 29627725 | 10.1016/j.ejmech.2018.03.071 | Protein cereblon/EML4/ALK | 1 |
| 29627725 | 10.1016/j.ejmech.2018.03.071 | SU-DHL-1 | 1 |
| 29627725 | 10.1016/j.ejmech.2018.03.071 | NCI-H2228 | 1 |
Data from ChEMBL 36 via Core Engine