Compound Detail
CHEMBL5182618
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CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCCOCC(=O)N3CCN(c4cc(Nc5ncc(C(=O)Nc6c(C)cccc6Cl)s5)nc(C)n4)CC3)c2)cs1)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5182618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGXPIMSXZFISNU-BYASVTKKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1040.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
| KU812 cell line CHEMBL613997 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| KCL-22 CHEMBL4296452 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
| K562 CHEMBL385 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 0.54 | nM | 9.27 | Binding affinity to human recombinant His-tagged full length ABL1 expressed in b... | 35551036 |
| KU812 cell line | IC50 | = | 6.72 | nM | 8.17 | Antiproliferative activity against human KU812 cell line assessed as cell growth... | 35551036 |
| KCL-22 | IC50 | = | 8.06 | nM | 8.09 | Antiproliferative activity against human KCL-22 cells assessed as cell growth in... | 35551036 |
| K562 | IC50 | = | 8.92 | nM | 8.05 | Antiproliferative activity against human K562 cells assessed as cell growth inhi... | 35551036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35551036 | 10.1016/j.ejmech.2022.114442 | Protein cereblon/BCR/ABL | 1 |
| 35551036 | 10.1016/j.ejmech.2022.114442 | Tyrosine-protein kinase ABL1 | 1 |
| 35551036 | 10.1016/j.ejmech.2022.114442 | K562 | 1 |
| 35551036 | 10.1016/j.ejmech.2022.114442 | KCL-22 | 1 |
| 35551036 | 10.1016/j.ejmech.2022.114442 | KU812 cell line | 1 |
Data from ChEMBL 36 via Core Engine