Compound Detail
CHEMBL5269028
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COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2B(O)OC3)n1
Basic Information
| ChEMBL ID | CHEMBL5269028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSQSHZHRYLLNCV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.04 | 7.8033 | 9.1 | 3 |
| NCI-H2228 CHEMBL1075536 | IC50 | 6.16 | 6.16 | 699.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 9.1 | nM | 8.04 | Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 r... | 36332597 |
| ALK tyrosine kinase receptor | IC50 | = | 10.4 | nM | 7.98 | Inhibition of N-terminal GST-tagged human wild type ALK cytoplasmic domain (1058... | 36332597 |
| ALK tyrosine kinase receptor | IC50 | = | 40.7 | nM | 7.39 | Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 r... | 36332597 |
| NCI-H2228 | IC50 | = | 699.1 | nM | 6.16 | Antiproliferative activity against human NCI-H2228 cells assessed as reduction i... | 36332597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332597 | 10.1016/j.bmc.2022.117071 | ALK tyrosine kinase receptor | 3 |
| 36332597 | 10.1016/j.bmc.2022.117071 | NCI-H2228 | 1 |
Data from ChEMBL 36 via Core Engine