Compound Detail
CHEMBL5271189
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CC(=O)C1=C(O)N(C2CCCC2)c2nc(Nc3ccc(N4CCN(Cc5cn(CCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)ncc2C1C
Basic Information
| ChEMBL ID | CHEMBL5271189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNEQMDJHTDNIGB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
872.0
MW (Da)
4.44
ALogP
17
HBA
4
HBD
224.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 4 CHEMBL4523686 | EC50 | 7.89 | 7.89 | 12.9 | 1 |
| Protein cereblon/Cyclin-dependent kinase 6 CHEMBL4523700 | EC50 | 7.47 | 7.47 | 34.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 4 | EC50 | = | 12.9 | nM | 7.89 | Protac activity at CRBN/CDK4 in human MDA-MB-231 cells | 36274273 |
| Protein cereblon/Cyclin-dependent kinase 6 | EC50 | = | 34.1 | nM | 7.47 | Protac activity at CRBN/CDK6 in human MDA-MB-231 cells | 36274273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36274273 | 10.1016/j.ejmech.2022.114838 | Protein cereblon/Cyclin-dependent kinase 4 | 1 |
| 36274273 | 10.1016/j.ejmech.2022.114838 | Protein cereblon/Cyclin-dependent kinase 6 | 1 |
Data from ChEMBL 36 via Core Engine