Compound Detail
CHEMBL5420004
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CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CCCN(CCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)ncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5420004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJOJMGTVKMABKQ-PKMDPOOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
837.4
MW (Da)
4.48
ALogP
13
HBA
4
HBD
209.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 12 CHEMBL4879535 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 12 | IC50 | = | 6.0 | nM | 8.22 | Protac activity at CRBN/CDK12 in human Jurkat cells assessed as reduction of pro... | 37731700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731700 | 10.1039/d3md00004d | Protein cereblon/Cyclin-dependent kinase 12 | 1 |
Data from ChEMBL 36 via Core Engine