Compound Detail
CHEMBL5273652
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CN(C)C(=O)c1cn(C2CCCC2)c2cnc(Nc3ccc(N4CCN(c5cn(CCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc12
Basic Information
| ChEMBL ID | CHEMBL5273652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCURMICREJRIDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
843.0
MW (Da)
3.99
ALogP
16
HBA
3
HBD
208.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 4 CHEMBL4523686 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 4 | EC50 | = | 97.0 | nM | 7.01 | Protac activity at CRBN/CDK4 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 |
Data from ChEMBL 36 via Core Engine