Compound Detail
CHEMBL4742867
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COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCCCCCOCCOCCOCCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4742867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBQXHLBIJMHVHI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1150.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/BCR/ABL CHEMBL4296137 | Kd | 9.89 | 9.655 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/BCR/ABL | Kd | = | 0.13 | nM | 9.89 | Protac binding affinity at CRBN/BCR-ABL (unknown origin) assessed as binding to ... | 33335652 |
| Protein cereblon/BCR/ABL | Kd | = | 0.38 | nM | 9.42 | Protac binding affinity at CRBN/BCR-ABL (unknown origin) assessed as binding to ... | 33335652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33335652 | 10.1021/acsmedchemlett.0c00587 | Protein cereblon/BCR/ABL | 4 |
Data from ChEMBL 36 via Core Engine